1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide

C24H25N3O3S — CID 102563725

IUPAC1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1ccccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H25N3O3S/c25-24(28)23-11-6-16-27(23)17-20-9-4-5-10-22(20)26-31(29,30)21-14-12-19(13-15-21)18-7-2-1-3-8-18/h1-5,7-10,12-15,23,26H,6,11,16-17H2,(H2,25,28)
InChIKeySKCLCBYXPBJEKR-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.60
Rot. Bonds7

About 1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide

1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 102563725) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID102563725
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1ccccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H25N3O3S/c25-24(28)23-11-6-16-27(23)17-20-9-4-5-10-22(20)26-31(29,30)21-14-12-19(13-15-21)18-7-2-1-3-8-18/h1-5,7-10,12-15,23,26H,6,11,16-17H2,(H2,25,28)
InChIKeySKCLCBYXPBJEKR-UHFFFAOYSA-N
XLogP3.60
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 102563728
1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 56548081
(2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52526979
(2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 97236683
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 56547610
N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 86953047
methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462737
(2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide
CID 97249158
(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 95146043
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 154828970

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 102563725) is 1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1ccccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is SKCLCBYXPBJEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c25-24(28)23-11-6-16-27(23)17-20-9-4-5-10-22(20)26-31(29,30)21-14-12-19(13-15-21)18-7-2-1-3-8-18/h1-5,7-10,12-15,23,26H,6,11,16-17H2,(H2,25,28).
What are the key properties of 1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide?
1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102563725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).