N-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide

C23H24N2O3S2 — CID 53101533

IUPACN-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
SMILESCc1cccc(CNC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)c2)c1
InChIInChI=1S/C23H24N2O3S2/c1-17-6-4-7-18(14-17)16-24-23(26)20-9-5-8-19(15-20)21-10-11-22(29-21)30(27,28)25-12-2-3-13-25/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,24,26)
InChIKeyOLCAZGGYLVRVLB-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.44
Rot. Bonds6

About N-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide

N-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide (PubChem CID 53101533) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
PubChem CID53101533
Molecular FormulaC23H24N2O3S2
Molecular Weight440.59 g/mol
Exact Mass440.12
IUPAC NameN-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
SMILESCc1cccc(CNC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)c2)c1
InChIInChI=1S/C23H24N2O3S2/c1-17-6-4-7-18(14-17)16-24-23(26)20-9-5-8-19(15-20)21-10-11-22(29-21)30(27,28)25-12-2-3-13-25/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,24,26)
InChIKeyOLCAZGGYLVRVLB-UHFFFAOYSA-N
XLogP4.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide 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-[(4-fluorophenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101529
N-[(4-methylphenyl)methyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101598
N-[(3-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 37430896
N-(2-methylphenyl)-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101498
N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101507
N-[(4-chlorophenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101368
N-(4-fluorophenyl)-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101514
N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 46385970
N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50847665
N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082134
3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 95082138
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide (CID 53101533) is N-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide is Cc1cccc(CNC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide?
The InChIKey is OLCAZGGYLVRVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c1-17-6-4-7-18(14-17)16-24-23(26)20-9-5-8-19(15-20)21-10-11-22(29-21)30(27,28)25-12-2-3-13-25/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,24,26).
What are the key properties of N-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide?
N-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide has a molecular weight of 440.59 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide is sourced from PubChem (CID 53101533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).