(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide

C21H26N2O4S — CID 86958627

IUPAC(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(c2ccccc2)C2CC2C)cc1
InChIInChI=1S/C21H26N2O4S/c1-14-13-19(14)20(16-7-5-4-6-8-16)22-21(24)15(2)23-28(25,26)18-11-9-17(27-3)10-12-18/h4-12,14-15,19-20,23H,13H2,1-3H3,(H,22,24)/t14?,15-,19?,20?/m0/s1
InChIKeyXVWBSXIBVMBQLV-IEEUDWRLSA-N
MW402.52 g/mol
LogP2.88
Rot. Bonds8

About (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide

(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide (PubChem CID 86958627) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
PubChem CID86958627
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(c2ccccc2)C2CC2C)cc1
InChIInChI=1S/C21H26N2O4S/c1-14-13-19(14)20(16-7-5-4-6-8-16)22-21(24)15(2)23-28(25,26)18-11-9-17(27-3)10-12-18/h4-12,14-15,19-20,23H,13H2,1-3H3,(H,22,24)/t14?,15-,19?,20?/m0/s1
InChIKeyXVWBSXIBVMBQLV-IEEUDWRLSA-N
XLogP2.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
N-[(S)-(2-methylcyclopropyl)-phenylmethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164861832
(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 34675609
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 40640573
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
(2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide
CID 124596255
2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 86956162
(2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24545647
2-(benzenesulfonamido)-N-propan-2-ylpropanamide
CID 3279426

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide?
The IUPAC name of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide (CID 86958627) is (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide?
The canonical SMILES for (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(c2ccccc2)C2CC2C)cc1.
What is the InChIKey of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide?
The InChIKey is XVWBSXIBVMBQLV-IEEUDWRLSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-14-13-19(14)20(16-7-5-4-6-8-16)22-21(24)15(2)23-28(25,26)18-11-9-17(27-3)10-12-18/h4-12,14-15,19-20,23H,13H2,1-3H3,(H,22,24)/t14?,15-,19?,20?/m0/s1.
What are the key properties of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide?
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide has a molecular weight of 402.52 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide is sourced from PubChem (CID 86958627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).