1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea

C22H28N4O5S — CID 166180053

IUPAC1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea
SMILESCC(NC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C22H28N4O5S/c1-16(17-8-10-18(11-9-17)25-32(2,29)30)23-22(28)24-19-6-5-7-20(14-19)31-15-21(27)26-12-3-4-13-26/h5-11,14,16,25H,3-4,12-13,15H2,1-2H3,(H2,23,24,28)
InChIKeyWQHJDCABIYOVFN-UHFFFAOYSA-N
MW460.56 g/mol
LogP2.94
Rot. Bonds8

About 1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea

1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea (PubChem CID 166180053) has the molecular formula C22H28N4O5S and a molecular weight of 460.56 g/mol. Its IUPAC name is 1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea
PubChem CID166180053
Molecular FormulaC22H28N4O5S
Molecular Weight460.56 g/mol
Exact Mass460.18
IUPAC Name1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea
SMILESCC(NC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C22H28N4O5S/c1-16(17-8-10-18(11-9-17)25-32(2,29)30)23-22(28)24-19-6-5-7-20(14-19)31-15-21(27)26-12-3-4-13-26/h5-11,14,16,25H,3-4,12-13,15H2,1-2H3,(H2,23,24,28)
InChIKeyWQHJDCABIYOVFN-UHFFFAOYSA-N
XLogP2.94
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea with MolForge

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Related Compounds

2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
2,3,4,5,6-pentamethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 39871455
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide
CID 119949591
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide
CID 119713860
N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 71939059
4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid
CID 122075528
4,4-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 129255718
2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide
CID 76868356
N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide
CID 84596891
N-[3-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]phenyl]acetamide
CID 62030068
2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 30118492
1-[3-(azepane-1-carbonyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 72860619

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea?
The IUPAC name of 1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea (CID 166180053) is 1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea.
What is the SMILES notation for 1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea?
The canonical SMILES for 1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea is CC(NC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of 1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea?
The InChIKey is WQHJDCABIYOVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S/c1-16(17-8-10-18(11-9-17)25-32(2,29)30)23-22(28)24-19-6-5-7-20(14-19)31-15-21(27)26-12-3-4-13-26/h5-11,14,16,25H,3-4,12-13,15H2,1-2H3,(H2,23,24,28).
What are the key properties of 1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea?
1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea has a molecular weight of 460.56 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea is sourced from PubChem (CID 166180053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).