N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

C23H26N2O3S2 — CID 24596245

IUPACN-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCc1ccc(C(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)c2ccccc2)cc1
InChIInChI=1S/C23H26N2O3S2/c1-18-12-14-20(15-13-18)23(19-8-4-3-5-9-19)24-21(26)10-6-16-25(2)30(27,28)22-11-7-17-29-22/h3-5,7-9,11-15,17,23H,6,10,16H2,1-2H3,(H,24,26)
InChIKeyAOIIFSJIWXNZRO-UHFFFAOYSA-N
MW442.61 g/mol
LogP4.36
Rot. Bonds9

About N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (PubChem CID 24596245) has the molecular formula C23H26N2O3S2 and a molecular weight of 442.61 g/mol. Its IUPAC name is N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
PubChem CID24596245
Molecular FormulaC23H26N2O3S2
Molecular Weight442.61 g/mol
Exact Mass442.14
IUPAC NameN-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCc1ccc(C(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)c2ccccc2)cc1
InChIInChI=1S/C23H26N2O3S2/c1-18-12-14-20(15-13-18)23(19-8-4-3-5-9-19)24-21(26)10-6-16-25(2)30(27,28)22-11-7-17-29-22/h3-5,7-9,11-15,17,23H,6,10,16H2,1-2H3,(H,24,26)
InChIKeyAOIIFSJIWXNZRO-UHFFFAOYSA-N
XLogP4.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596037
N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 42930432
4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide
CID 133186861
N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24666466
N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 55368199
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 7917911
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 7917913
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 18136265
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
CID 167766558
N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51184874
N-benzhydryl-4-(N-methylsulfonylanilino)butanamide
CID 9173073
N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 17440887

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The IUPAC name of N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (CID 24596245) is N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.
What is the SMILES notation for N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The canonical SMILES for N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is Cc1ccc(C(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The InChIKey is AOIIFSJIWXNZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S2/c1-18-12-14-20(15-13-18)23(19-8-4-3-5-9-19)24-21(26)10-6-16-25(2)30(27,28)22-11-7-17-29-22/h3-5,7-9,11-15,17,23H,6,10,16H2,1-2H3,(H,24,26).
What are the key properties of N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide has a molecular weight of 442.61 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is sourced from PubChem (CID 24596245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).