N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide

C19H23N3O4S — CID 38024472

IUPACN-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H23N3O4S/c1-4-18(23)20-15-6-5-7-16(12-15)21-19(24)13-22(3)27(25,26)17-10-8-14(2)9-11-17/h5-12H,4,13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyQFPDKDOBSGTBAW-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.60
Rot. Bonds7

About N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide

N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide (PubChem CID 38024472) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
PubChem CID38024472
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H23N3O4S/c1-4-18(23)20-15-6-5-7-16(12-15)21-19(24)13-22(3)27(25,26)17-10-8-14(2)9-11-17/h5-12H,4,13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyQFPDKDOBSGTBAW-UHFFFAOYSA-N
XLogP2.60
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24648914
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 40735304
N-(3-cyclopentyloxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 38405959
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46508678
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 31716980
N-(9H-fluoren-2-yl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 24658365
N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide
CID 55725015
N-(2,3-dimethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925267
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 26217725
2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide
CID 99818114

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide (CID 38024472) is N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide?
The InChIKey is QFPDKDOBSGTBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-4-18(23)20-15-6-5-7-16(12-15)21-19(24)13-22(3)27(25,26)17-10-8-14(2)9-11-17/h5-12H,4,13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide?
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide has a molecular weight of 389.48 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 38024472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).