1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea

C20H25N3O3S — CID 7280148

IUPAC1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea
SMILESO=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C20H25N3O3S/c24-20(22-17-9-3-1-4-10-17)21-15-14-18-11-7-8-16-23(18)27(25,26)19-12-5-2-6-13-19/h1-6,9-10,12-13,18H,7-8,11,14-16H2,(H2,21,22,24)/t18-/m0/s1
InChIKeyZWOLZURMHWOXJP-SFHVURJKSA-N
MW387.50 g/mol
LogP3.44
Rot. Bonds6

About 1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea

1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea (PubChem CID 7280148) has the molecular formula C20H25N3O3S and a molecular weight of 387.50 g/mol. Its IUPAC name is 1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea
PubChem CID7280148
Molecular FormulaC20H25N3O3S
Molecular Weight387.50 g/mol
Exact Mass387.16
IUPAC Name1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea
SMILESO=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C20H25N3O3S/c24-20(22-17-9-3-1-4-10-17)21-15-14-18-11-7-8-16-23(18)27(25,26)19-12-5-2-6-13-19/h1-6,9-10,12-13,18H,7-8,11,14-16H2,(H2,21,22,24)/t18-/m0/s1
InChIKeyZWOLZURMHWOXJP-SFHVURJKSA-N
XLogP3.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-phenylurea
CID 7280428
1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 7280470
1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 41194713
N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(4-fluorophenyl)oxamide
CID 41194131
N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide
CID 7280249
1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea
CID 18574346
1-(3-chlorophenyl)-3-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 41194481
N-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-benzyloxamide
CID 41193896
N-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(2-fluorophenyl)oxamide
CID 41194113
N-[2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(2-methoxyphenyl)oxamide
CID 41194254
N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195983
N'-(4-fluorophenyl)-N-[2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194512

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea?
The IUPAC name of 1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea (CID 7280148) is 1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea is O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea?
The InChIKey is ZWOLZURMHWOXJP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-20(22-17-9-3-1-4-10-17)21-15-14-18-11-7-8-16-23(18)27(25,26)19-12-5-2-6-13-19/h1-6,9-10,12-13,18H,7-8,11,14-16H2,(H2,21,22,24)/t18-/m0/s1.
What are the key properties of 1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea?
1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea has a molecular weight of 387.50 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-3-phenylurea is sourced from PubChem (CID 7280148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).