1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea

C16H24N4O5S — CID 118792157

IUPAC1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea
SMILESCCCN1CC(NC(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)CC1=O
InChIInChI=1S/C16H24N4O5S/c1-4-7-20-10-12(9-15(20)21)18-16(22)17-11-5-6-14(25-2)13(8-11)19-26(3,23)24/h5-6,8,12,19H,4,7,9-10H2,1-3H3,(H2,17,18,22)
InChIKeyYLEKUIKCLXSWBE-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.20
Rot. Bonds7

About 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea

1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea (PubChem CID 118792157) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea
PubChem CID118792157
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Name1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea
SMILESCCCN1CC(NC(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)CC1=O
InChIInChI=1S/C16H24N4O5S/c1-4-7-20-10-12(9-15(20)21)18-16(22)17-11-5-6-14(25-2)13(8-11)19-26(3,23)24/h5-6,8,12,19H,4,7,9-10H2,1-3H3,(H2,17,18,22)
InChIKeyYLEKUIKCLXSWBE-UHFFFAOYSA-N
XLogP1.20
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 118763815
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(3,4-dimethoxyphenyl)urea
CID 108876008
1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3,4-dimethylphenyl)urea
CID 7552537
1-(3-methoxyphenyl)-3-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]urea
CID 42516811
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 134019095
1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea
CID 45241705
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide
CID 154839545
N-[4-[[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7244467
1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea
CID 124889174
1-(3,4-dimethoxyphenyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564233
N,N-diethyl-3-methyl-4-[(5-oxo-1-propylpyrrolidin-3-yl)carbamoylamino]benzamide
CID 74232452
N-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide
CID 95046973

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea?
The IUPAC name of 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea (CID 118792157) is 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea is CCCN1CC(NC(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)CC1=O.
What is the InChIKey of 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea?
The InChIKey is YLEKUIKCLXSWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S/c1-4-7-20-10-12(9-15(20)21)18-16(22)17-11-5-6-14(25-2)13(8-11)19-26(3,23)24/h5-6,8,12,19H,4,7,9-10H2,1-3H3,(H2,17,18,22).
What are the key properties of 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea?
1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea has a molecular weight of 384.46 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea is sourced from PubChem (CID 118792157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).