N-[3-[[(2R)-3-cyclohexyl-2-hydroxypropanoyl]amino]butan-2-yl]-1-methylsulfonylcyclobutane-1-carboxamide

C19H34N2O5S — CID 166389843

IUPACN-[3-[[(2R)-3-cyclohexyl-2-hydroxypropanoyl]amino]butan-2-yl]-1-methylsulfonylcyclobutane-1-carboxamide
SMILESCC(NC(=O)[C@H](O)CC1CCCCC1)C(C)NC(=O)C1(S(C)(=O)=O)CCC1
InChIInChI=1S/C19H34N2O5S/c1-13(20-17(23)16(22)12-15-8-5-4-6-9-15)14(2)21-18(24)19(10-7-11-19)27(3,25)26/h13-16,22H,4-12H2,1-3H3,(H,20,23)(H,21,24)/t13?,14?,16-/m1/s1
InChIKeyBECSTADFRGMJJC-ZBCRRDGASA-N
MW402.56 g/mol
LogP1.29
Rot. Bonds8

About N-[3-[[(2R)-3-cyclohexyl-2-hydroxypropanoyl]amino]butan-2-yl]-1-methylsulfonylcyclobutane-1-carboxamide

N-[3-[[(2R)-3-cyclohexyl-2-hydroxypropanoyl]amino]butan-2-yl]-1-methylsulfonylcyclobutane-1-carboxamide (PubChem CID 166389843) has the molecular formula C19H34N2O5S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[3-[[(2R)-3-cyclohexyl-2-hydroxypropanoyl]amino]butan-2-yl]-1-methylsulfonylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2R)-3-cyclohexyl-2-hydroxypropanoyl]amino]butan-2-yl]-1-methylsulfonylcyclobutane-1-carboxamide
PubChem CID166389843
Molecular FormulaC19H34N2O5S
Molecular Weight402.56 g/mol
Exact Mass402.22
IUPAC NameN-[3-[[(2R)-3-cyclohexyl-2-hydroxypropanoyl]amino]butan-2-yl]-1-methylsulfonylcyclobutane-1-carboxamide
SMILESCC(NC(=O)[C@H](O)CC1CCCCC1)C(C)NC(=O)C1(S(C)(=O)=O)CCC1
InChIInChI=1S/C19H34N2O5S/c1-13(20-17(23)16(22)12-15-8-5-4-6-9-15)14(2)21-18(24)19(10-7-11-19)27(3,25)26/h13-16,22H,4-12H2,1-3H3,(H,20,23)(H,21,24)/t13?,14?,16-/m1/s1
InChIKeyBECSTADFRGMJJC-ZBCRRDGASA-N
XLogP1.29
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[[(2R)-3-cyclohexyl-2-hydroxypropanoyl]amino]butan-2-yl]-1-methylsulfonylcyclobutane-1-carboxamide with MolForge

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Related Compounds

(3R)-3-[[(2S)-2-[[(2S)-2-[(3-cyclohexyl-2-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
CID 87877880
3-cyclohexyl-2-hydroxy-N-piperidin-1-ylpropanamide
CID 22014019
1-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 23555113
N-methyl-1-methylsulfonylcyclopentane-1-carboxamide
CID 130605374
5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
CID 122056687
1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 59033305
N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride
CID 120505210
copper bis(3-cyclohexyl-2-hydroxypropanoate)
CID 129047910
(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide
CID 119338014
(2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid
CID 119244683
(2S)-2-[(3-cyclohexyl-2-methylpropyl)amino]propanoic acid
CID 122038991
(3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane
CID 158866728

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-3-cyclohexyl-2-hydroxypropanoyl]amino]butan-2-yl]-1-methylsulfonylcyclobutane-1-carboxamide?
The IUPAC name of N-[3-[[(2R)-3-cyclohexyl-2-hydroxypropanoyl]amino]butan-2-yl]-1-methylsulfonylcyclobutane-1-carboxamide (CID 166389843) is N-[3-[[(2R)-3-cyclohexyl-2-hydroxypropanoyl]amino]butan-2-yl]-1-methylsulfonylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[3-[[(2R)-3-cyclohexyl-2-hydroxypropanoyl]amino]butan-2-yl]-1-methylsulfonylcyclobutane-1-carboxamide?
The canonical SMILES for N-[3-[[(2R)-3-cyclohexyl-2-hydroxypropanoyl]amino]butan-2-yl]-1-methylsulfonylcyclobutane-1-carboxamide is CC(NC(=O)[C@H](O)CC1CCCCC1)C(C)NC(=O)C1(S(C)(=O)=O)CCC1.
What is the InChIKey of N-[3-[[(2R)-3-cyclohexyl-2-hydroxypropanoyl]amino]butan-2-yl]-1-methylsulfonylcyclobutane-1-carboxamide?
The InChIKey is BECSTADFRGMJJC-ZBCRRDGASA-N. The full InChI is InChI=1S/C19H34N2O5S/c1-13(20-17(23)16(22)12-15-8-5-4-6-9-15)14(2)21-18(24)19(10-7-11-19)27(3,25)26/h13-16,22H,4-12H2,1-3H3,(H,20,23)(H,21,24)/t13?,14?,16-/m1/s1.
What are the key properties of N-[3-[[(2R)-3-cyclohexyl-2-hydroxypropanoyl]amino]butan-2-yl]-1-methylsulfonylcyclobutane-1-carboxamide?
N-[3-[[(2R)-3-cyclohexyl-2-hydroxypropanoyl]amino]butan-2-yl]-1-methylsulfonylcyclobutane-1-carboxamide has a molecular weight of 402.56 g/mol, XLogP of 1.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-3-cyclohexyl-2-hydroxypropanoyl]amino]butan-2-yl]-1-methylsulfonylcyclobutane-1-carboxamide is sourced from PubChem (CID 166389843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).