1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

C14H19N3O4S — CID 110747288

IUPAC1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H19N3O4S/c1-11-4-6-12(7-5-11)22(20,21)16-14(19)15-10-13(18)17-8-2-3-9-17/h4-7H,2-3,8-10H2,1H3,(H2,15,16,19)
InChIKeyVAGKRTZXULOMDN-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.61
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea (PubChem CID 110747288) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
PubChem CID110747288
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H19N3O4S/c1-11-4-6-12(7-5-11)22(20,21)16-14(19)15-10-13(18)17-8-2-3-9-17/h4-7H,2-3,8-10H2,1H3,(H2,15,16,19)
InChIKeyVAGKRTZXULOMDN-UHFFFAOYSA-N
XLogP0.61
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 9035264
1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea
CID 23275206
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)sulfonylurea
CID 110370826
ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
CID 95561819
1-(4-methylphenyl)sulfonyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 112503252
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
N-(4-methylphenyl)sulfonyl-4-propanoyl-1,4-diazepane-1-carboxamide
CID 110811315
2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
CID 46532913
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylurea;1-butyl-3-(4-methylphenyl)sulfonylurea
CID 66869930
2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 6457026
2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
CID 56731899

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea (CID 110747288) is 1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea is Cc1ccc(S(=O)(=O)NC(=O)NCC(=O)N2CCCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The InChIKey is VAGKRTZXULOMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-11-4-6-12(7-5-11)22(20,21)16-14(19)15-10-13(18)17-8-2-3-9-17/h4-7H,2-3,8-10H2,1H3,(H2,15,16,19).
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea has a molecular weight of 325.39 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 110747288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).