N-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide

C20H24N2O4S2 — CID 9416979

IUPACN-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)CCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24N2O4S2/c1-15-8-10-16(11-9-15)28(25,26)13-12-20(24)22(2)14-19(23)21-17-6-4-5-7-18(17)27-3/h4-11H,12-14H2,1-3H3,(H,21,23)
InChIKeyHRFNFQOZRIWEFW-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.98
Rot. Bonds8

About N-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide

N-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide (PubChem CID 9416979) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
PubChem CID9416979
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC NameN-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)CCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24N2O4S2/c1-15-8-10-16(11-9-15)28(25,26)13-12-20(24)22(2)14-19(23)21-17-6-4-5-7-18(17)27-3/h4-11H,12-14H2,1-3H3,(H,21,23)
InChIKeyHRFNFQOZRIWEFW-UHFFFAOYSA-N
XLogP2.98
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(4-methylphenyl)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768176
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 126391482
N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9417092
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide
CID 38764417
N-methyl-4-(3-methylphenoxy)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]butanamide
CID 40689264
2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 7780054
3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768085
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38764735
N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4547649
2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 51223505
(3S)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-phenylbutanamide
CID 38762946
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 7510049

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide?
The IUPAC name of N-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide (CID 9416979) is N-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for N-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for N-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide is CSc1ccccc1NC(=O)CN(C)C(=O)CCS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide?
The InChIKey is HRFNFQOZRIWEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-15-8-10-16(11-9-15)28(25,26)13-12-20(24)22(2)14-19(23)21-17-6-4-5-7-18(17)27-3/h4-11H,12-14H2,1-3H3,(H,21,23).
What are the key properties of N-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide?
N-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide has a molecular weight of 420.56 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylphenyl)sulfonyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 9416979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).