tert-butyl N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate

C23H38N4O6S — CID 11591391

IUPACtert-butyl N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1C(C)CCN(S(=O)(=O)c2ccccn2)CC1O
InChIInChI=1S/C23H38N4O6S/c1-15(2)13-17(25-22(30)33-23(4,5)6)21(29)26-20-16(3)10-12-27(14-18(20)28)34(31,32)19-9-7-8-11-24-19/h7-9,11,15-18,20,28H,10,12-14H2,1-6H3,(H,25,30)(H,26,29)/t16?,17-,18?,20?/m0/s1
InChIKeyBXHSOHKVVCAVCF-POAOYLCXSA-N
MW498.65 g/mol
LogP1.90
Rot. Bonds7

About tert-butyl N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate

tert-butyl N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 11591391) has the molecular formula C23H38N4O6S and a molecular weight of 498.65 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID11591391
Molecular FormulaC23H38N4O6S
Molecular Weight498.65 g/mol
Exact Mass498.25
IUPAC Nametert-butyl N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1C(C)CCN(S(=O)(=O)c2ccccn2)CC1O
InChIInChI=1S/C23H38N4O6S/c1-15(2)13-17(25-22(30)33-23(4,5)6)21(29)26-20-16(3)10-12-27(14-18(20)28)34(31,32)19-9-7-8-11-24-19/h7-9,11,15-18,20,28H,10,12-14H2,1-6H3,(H,25,30)(H,26,29)/t16?,17-,18?,20?/m0/s1
InChIKeyBXHSOHKVVCAVCF-POAOYLCXSA-N
XLogP1.90
TPSA137.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]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-[(2S)-1-[(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10791044
tert-butyl N-[1-[[(3S)-1-benzyl-3-hydroxy-5-methylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 69001141
tert-butyl N-[(3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-yl]carbamate
CID 176655631
(2S)-2-amino-4-methyl-N-(5-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide
CID 69000638
N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide
CID 54279097
N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]quinoline-2-carboxamide
CID 91312639
tert-butyl N-[1-(cyclopropylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 24689176
N-[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]-4-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfonylamino]pentanamide
CID 91076458
tert-butyl N-[1-[(1-benzylpyrrolidin-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 18717996
5,6-difluoro-N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 91249647
(2S)-2-amino-N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)-3-methylpentanamide
CID 69310541
(5-methoxy-1-benzofuran-2-yl) N-[4-methyl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]pentan-2-yl]carbamate
CID 69145487

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 11591391) is tert-butyl N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1C(C)CCN(S(=O)(=O)c2ccccn2)CC1O.
What is the InChIKey of tert-butyl N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is BXHSOHKVVCAVCF-POAOYLCXSA-N. The full InChI is InChI=1S/C23H38N4O6S/c1-15(2)13-17(25-22(30)33-23(4,5)6)21(29)26-20-16(3)10-12-27(14-18(20)28)34(31,32)19-9-7-8-11-24-19/h7-9,11,15-18,20,28H,10,12-14H2,1-6H3,(H,25,30)(H,26,29)/t16?,17-,18?,20?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 498.65 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 11591391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).