2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide

C17H26N4O4S — CID 119574894

IUPAC2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)NC(C)(CN)C2CC2)cc1
InChIInChI=1S/C17H26N4O4S/c1-11(16(23)20-17(3,10-18)13-4-5-13)21-26(24,25)15-8-6-14(7-9-15)19-12(2)22/h6-9,11,13,21H,4-5,10,18H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyPTQOVLPCVRVIDX-UHFFFAOYSA-N
MW382.49 g/mol
LogP0.56
Rot. Bonds8

About 2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide

2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide (PubChem CID 119574894) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide
PubChem CID119574894
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)NC(C)(CN)C2CC2)cc1
InChIInChI=1S/C17H26N4O4S/c1-11(16(23)20-17(3,10-18)13-4-5-13)21-26(24,25)15-8-6-14(7-9-15)19-12(2)22/h6-9,11,13,21H,4-5,10,18H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyPTQOVLPCVRVIDX-UHFFFAOYSA-N
XLogP0.56
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119574204
N-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide
CID 115307942
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 119575571
2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride
CID 119616338
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119224998
methyl 2-[[4-(4-acetamidophenyl)phenyl]sulfonylamino]propanoate
CID 17441403
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 55938757

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide (CID 119574894) is 2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide is CC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)NC(C)(CN)C2CC2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide?
The InChIKey is PTQOVLPCVRVIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-11(16(23)20-17(3,10-18)13-4-5-13)21-26(24,25)15-8-6-14(7-9-15)19-12(2)22/h6-9,11,13,21H,4-5,10,18H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide?
2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide has a molecular weight of 382.49 g/mol, XLogP of 0.56, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide is sourced from PubChem (CID 119574894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).