1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-sulfamoylphenyl)urea

C20H26N4O4S — CID 24650615

IUPAC1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-sulfamoylphenyl)urea
SMILESCOc1cccc(C(CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)N2CCCC2)c1
InChIInChI=1S/C20H26N4O4S/c1-28-17-6-4-5-15(13-17)19(24-11-2-3-12-24)14-22-20(25)23-16-7-9-18(10-8-16)29(21,26)27/h4-10,13,19H,2-3,11-12,14H2,1H3,(H2,21,26,27)(H2,22,23,25)
InChIKeyXXTPRJUWHHTUAK-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.30
Rot. Bonds7

About 1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-sulfamoylphenyl)urea

1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 24650615) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-sulfamoylphenyl)urea
PubChem CID24650615
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-sulfamoylphenyl)urea
SMILESCOc1cccc(C(CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)N2CCCC2)c1
InChIInChI=1S/C20H26N4O4S/c1-28-17-6-4-5-15(13-17)19(24-11-2-3-12-24)14-22-20(25)23-16-7-9-18(10-8-16)29(21,26)27/h4-10,13,19H,2-3,11-12,14H2,1H3,(H2,21,26,27)(H2,22,23,25)
InChIKeyXXTPRJUWHHTUAK-UHFFFAOYSA-N
XLogP2.30
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate
CID 46446884
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]azocane-1-carboxamide
CID 112806953
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,2-dimethylpropanamide
CID 134026624
1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea
CID 43016379
2-(2,5-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 78822011
tert-butyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate
CID 17484140
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
1-[1-(2-bromophenyl)ethyl]-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 112803472
(2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide
CID 119832228
3-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119952738
2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119832172

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-sulfamoylphenyl)urea (CID 24650615) is 1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-sulfamoylphenyl)urea is COc1cccc(C(CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)N2CCCC2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is XXTPRJUWHHTUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-28-17-6-4-5-15(13-17)19(24-11-2-3-12-24)14-22-20(25)23-16-7-9-18(10-8-16)29(21,26)27/h4-10,13,19H,2-3,11-12,14H2,1H3,(H2,21,26,27)(H2,22,23,25).
What are the key properties of 1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-sulfamoylphenyl)urea?
1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 418.52 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 24650615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).