N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C25H26N2O3S — CID 133189694

IUPACN-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cccc(C(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2)c1
InChIInChI=1S/C25H26N2O3S/c1-19-8-7-11-22(18-19)24(20-9-3-2-4-10-20)26-25(28)21-12-14-23(15-13-21)31(29,30)27-16-5-6-17-27/h2-4,7-15,18,24H,5-6,16-17H2,1H3,(H,26,28)
InChIKeyLAAJJAVVGRWUAE-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.30
Rot. Bonds6

About N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 133189694) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID133189694
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC NameN-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cccc(C(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2)c1
InChIInChI=1S/C25H26N2O3S/c1-19-8-7-11-22(18-19)24(20-9-3-2-4-10-20)26-25(28)21-12-14-23(15-13-21)31(29,30)27-16-5-6-17-27/h2-4,7-15,18,24H,5-6,16-17H2,1H3,(H,26,28)
InChIKeyLAAJJAVVGRWUAE-UHFFFAOYSA-N
XLogP4.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 55582803
(3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125071827
N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2420116
(2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 7059174
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99941907
2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43908141
2-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 93486304
(3R)-3-(4-methylphenyl)-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 9267692
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 41183490
N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9302382
(3S)-N-benzhydryl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078436

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 133189694) is N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is Cc1cccc(C(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2)c1.
What is the InChIKey of N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is LAAJJAVVGRWUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-19-8-7-11-22(18-19)24(20-9-3-2-4-10-20)26-25(28)21-12-14-23(15-13-21)31(29,30)27-16-5-6-17-27/h2-4,7-15,18,24H,5-6,16-17H2,1H3,(H,26,28).
What are the key properties of N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 434.56 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 133189694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).