4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide

C21H23N3O5S — CID 30601398

IUPAC4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C21H23N3O5S/c1-14(25)15-5-11-19(12-6-15)30(28,29)24(2)13-20(26)22-17-7-3-16(4-8-17)21(27)23-18-9-10-18/h3-8,11-12,18H,9-10,13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyCDOOGWKKZNIREZ-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.04
Rot. Bonds8

About 4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide

4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide (PubChem CID 30601398) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
PubChem CID30601398
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C21H23N3O5S/c1-14(25)15-5-11-19(12-6-15)30(28,29)24(2)13-20(26)22-17-7-3-16(4-8-17)21(27)23-18-9-10-18/h3-8,11-12,18H,9-10,13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyCDOOGWKKZNIREZ-UHFFFAOYSA-N
XLogP2.04
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide
CID 7919004
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695434
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 2640186
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119458682
N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide
CID 55725015
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 30599818
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 9091175
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide
CID 49073422
2-[(4-acetylphenyl)sulfonyl-cyclopropylamino]-N-cyclopropylacetamide
CID 56800917
N-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide
CID 86998042
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide (CID 30601398) is 4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1.
What is the InChIKey of 4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is CDOOGWKKZNIREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-14(25)15-5-11-19(12-6-15)30(28,29)24(2)13-20(26)22-17-7-3-16(4-8-17)21(27)23-18-9-10-18/h3-8,11-12,18H,9-10,13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 429.50 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 30601398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).