1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea

C24H29N5O3S — CID 10151832

IUPAC1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)NCCN2CCC(N(C)S(=O)(=O)c3ccccc3)C2)c2ccccc2n1
InChIInChI=1S/C24H29N5O3S/c1-18-16-23(21-10-6-7-11-22(21)26-18)27-24(30)25-13-15-29-14-12-19(17-29)28(2)33(31,32)20-8-4-3-5-9-20/h3-11,16,19H,12-15,17H2,1-2H3,(H2,25,26,27,30)
InChIKeyUCHVUVGYNVLZPL-UHFFFAOYSA-N
MW467.60 g/mol
LogP3.06
Rot. Bonds7

About 1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea

1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea (PubChem CID 10151832) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is 1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea.

Molecular Properties

Compound Name1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
PubChem CID10151832
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)NCCN2CCC(N(C)S(=O)(=O)c3ccccc3)C2)c2ccccc2n1
InChIInChI=1S/C24H29N5O3S/c1-18-16-23(21-10-6-7-11-22(21)26-18)27-24(30)25-13-15-29-14-12-19(17-29)28(2)33(31,32)20-8-4-3-5-9-20/h3-11,16,19H,12-15,17H2,1-2H3,(H2,25,26,27,30)
InChIKeyUCHVUVGYNVLZPL-UHFFFAOYSA-N
XLogP3.06
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Gsk163090
CID 11292933
N-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2933833
1-Ethyl-3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]urea
CID 49850570
N-{4-[4-(2-Methyl-quinolin-4-yl)-piperazine-1-sulfonyl]-phenyl}-acetamide
CID 651482
4-[4-(Benzenesulfonyl)-1-piperazinyl]-2-methylquinoline
CID 1164592
1-[2-[3-[(2-Chlorophenyl)sulfonylamino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 10217601
1-[2-[4-[(2-Fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 17956538
3-[(S)-3-(2-Amino-quinoline-6-sulfonylamino)-2-oxo-pyrrolidin-1-ylmethyl]-benzamidine
CID 44325967
9-Benzenesulfonyl-2,3,4,9-tetrahydro-1H-beta-carboline
CID 44403079
GSK163090 (dihydrochloride)
CID 49836021
2,4,6-trimethyl-N-[(2S)-1-[(2-methylquinolin-5-yl)amino]propan-2-yl]benzenesulfonamide
CID 57651649
3-[(S)-3-(2-Amino-quinoline-7-sulfonylamino)-2-oxo-pyrrolidin-1-ylmethyl]-benzamidine
CID 44325865

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea?
The IUPAC name of 1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea (CID 10151832) is 1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea.
What is the SMILES notation for 1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea?
The canonical SMILES for 1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea is Cc1cc(NC(=O)NCCN2CCC(N(C)S(=O)(=O)c3ccccc3)C2)c2ccccc2n1.
What is the InChIKey of 1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea?
The InChIKey is UCHVUVGYNVLZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-18-16-23(21-10-6-7-11-22(21)26-18)27-24(30)25-13-15-29-14-12-19(17-29)28(2)33(31,32)20-8-4-3-5-9-20/h3-11,16,19H,12-15,17H2,1-2H3,(H2,25,26,27,30).
What are the key properties of 1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea?
1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea has a molecular weight of 467.60 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea is sourced from PubChem (CID 10151832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).