N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide

C21H25N3O5S — CID 55725015

IUPACN-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C21H25N3O5S/c1-5-20(26)22-17-9-6-14(2)19(12-17)23-21(27)13-24(4)30(28,29)18-10-7-16(8-11-18)15(3)25/h6-12H,5,13H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyOLNDNZOPSATOJJ-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.81
Rot. Bonds8

About N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide

N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide (PubChem CID 55725015) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide
PubChem CID55725015
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C21H25N3O5S/c1-5-20(26)22-17-9-6-14(2)19(12-17)23-21(27)13-24(4)30(28,29)18-10-7-16(8-11-18)15(3)25/h6-12H,5,13H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyOLNDNZOPSATOJJ-UHFFFAOYSA-N
XLogP2.81
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.81
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
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695434
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 43046652
4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 30601398
tert-butyl N-[5-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-2-methoxyphenyl]carbamate
CID 55654571
N-[3-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 46487284
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100790294
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 55780506
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 1319537
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[ethylsulfonyl(methyl)amino]acetamide
CID 100784760
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide (CID 55725015) is N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)c1.
What is the InChIKey of N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide?
The InChIKey is OLNDNZOPSATOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-5-20(26)22-17-9-6-14(2)19(12-17)23-21(27)13-24(4)30(28,29)18-10-7-16(8-11-18)15(3)25/h6-12H,5,13H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide?
N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide has a molecular weight of 431.51 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide is sourced from PubChem (CID 55725015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).