tert-butyl N-[[1-[3-[[3-cyclohexyl-1-(hydroxyamino)-1-oxopropan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate

C30H48N4O8S — CID 57181809

IUPACtert-butyl N-[[1-[3-[[3-cyclohexyl-1-(hydroxyamino)-1-oxopropan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate
SMILESCOc1ccc(S(=O)(=O)N(CCC(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)C(CC2CCCCC2)C(=O)NO)cc1
InChIInChI=1S/C30H48N4O8S/c1-30(2,3)42-29(37)31-21-23-14-17-33(18-15-23)27(35)16-19-34(43(39,40)25-12-10-24(41-4)11-13-25)26(28(36)32-38)20-22-8-6-5-7-9-22/h10-13,22-23,26,38H,5-9,14-21H2,1-4H3,(H,31,37)(H,32,36)
InChIKeyHSYPVXMFPNQEIT-UHFFFAOYSA-N
MW624.80 g/mol
LogP3.68
Rot. Bonds12

About tert-butyl N-[[1-[3-[[3-cyclohexyl-1-(hydroxyamino)-1-oxopropan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-[3-[[3-cyclohexyl-1-(hydroxyamino)-1-oxopropan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate (PubChem CID 57181809) has the molecular formula C30H48N4O8S and a molecular weight of 624.80 g/mol. Its IUPAC name is tert-butyl N-[[1-[3-[[3-cyclohexyl-1-(hydroxyamino)-1-oxopropan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[3-[[3-cyclohexyl-1-(hydroxyamino)-1-oxopropan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate
PubChem CID57181809
Molecular FormulaC30H48N4O8S
Molecular Weight624.80 g/mol
Exact Mass624.32
IUPAC Nametert-butyl N-[[1-[3-[[3-cyclohexyl-1-(hydroxyamino)-1-oxopropan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate
SMILESCOc1ccc(S(=O)(=O)N(CCC(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)C(CC2CCCCC2)C(=O)NO)cc1
InChIInChI=1S/C30H48N4O8S/c1-30(2,3)42-29(37)31-21-23-14-17-33(18-15-23)27(35)16-19-34(43(39,40)25-12-10-24(41-4)11-13-25)26(28(36)32-38)20-22-8-6-5-7-9-22/h10-13,22-23,26,38H,5-9,14-21H2,1-4H3,(H,31,37)(H,32,36)
InChIKeyHSYPVXMFPNQEIT-UHFFFAOYSA-N
XLogP3.68
TPSA154.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.80
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[[1-[3-[[3-cyclohexyl-1-(hydroxyamino)-1-oxopropan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[1-[3-[[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate
CID 57023264
tert-butyl N-[[1-[3-[(5-amino-4-hydroxy-3,3-dimethyl-5-oxopentyl)-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate
CID 67575768
2-[[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 22121984
4-[3-[[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylic acid
CID 57290520
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-3-methylbutanamide;hydrochloride
CID 174427091
4-benzylsulfanyl-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-(4-methoxyphenyl)sulfonylamino]-N-hydroxybutanamide
CID 10984597
1-[3-[[1-(hydroxyamino)-2-methyl-4-oxobutyl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylic acid
CID 174422785
tert-butyl N-[3-oxo-3-[4-[[2-(4-propan-2-ylphenoxy)propanoylamino]methyl]piperidin-1-yl]propyl]carbamate
CID 108919318
tert-butyl N-[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919244
1-[3-[[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylic acid
CID 22121978
tert-butyl N-[1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-(4-methoxyphenyl)sulfonylcarbamate
CID 10597997
tert-butyl N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]methyl]carbamate
CID 47089866

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[3-[[3-cyclohexyl-1-(hydroxyamino)-1-oxopropan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[3-[[3-cyclohexyl-1-(hydroxyamino)-1-oxopropan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate (CID 57181809) is tert-butyl N-[[1-[3-[[3-cyclohexyl-1-(hydroxyamino)-1-oxopropan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[3-[[3-cyclohexyl-1-(hydroxyamino)-1-oxopropan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[3-[[3-cyclohexyl-1-(hydroxyamino)-1-oxopropan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate is COc1ccc(S(=O)(=O)N(CCC(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)C(CC2CCCCC2)C(=O)NO)cc1.
What is the InChIKey of tert-butyl N-[[1-[3-[[3-cyclohexyl-1-(hydroxyamino)-1-oxopropan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate?
The InChIKey is HSYPVXMFPNQEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N4O8S/c1-30(2,3)42-29(37)31-21-23-14-17-33(18-15-23)27(35)16-19-34(43(39,40)25-12-10-24(41-4)11-13-25)26(28(36)32-38)20-22-8-6-5-7-9-22/h10-13,22-23,26,38H,5-9,14-21H2,1-4H3,(H,31,37)(H,32,36).
What are the key properties of tert-butyl N-[[1-[3-[[3-cyclohexyl-1-(hydroxyamino)-1-oxopropan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-[3-[[3-cyclohexyl-1-(hydroxyamino)-1-oxopropan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate has a molecular weight of 624.80 g/mol, XLogP of 3.68, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[3-[[3-cyclohexyl-1-(hydroxyamino)-1-oxopropan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoyl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 57181809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).