1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea

C19H23N3O3S — CID 146087942

IUPAC1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C19H23N3O3S/c23-19(22-17-8-5-11-20-13-17)21-16-7-4-6-15(12-16)14-26(24,25)18-9-2-1-3-10-18/h4-8,11-13,18H,1-3,9-10,14H2,(H2,21,22,23)
InChIKeyPODMJASEFXTAIQ-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.97
Rot. Bonds5

About 1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea

1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea (PubChem CID 146087942) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea
PubChem CID146087942
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C19H23N3O3S/c23-19(22-17-8-5-11-20-13-17)21-16-7-4-6-15(12-16)14-26(24,25)18-9-2-1-3-10-18/h4-8,11-13,18H,1-3,9-10,14H2,(H2,21,22,23)
InChIKeyPODMJASEFXTAIQ-UHFFFAOYSA-N
XLogP3.97
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide
CID 119784532
N-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide
CID 86940159
2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride
CID 119324202
N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119784568
5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide
CID 120632747
1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea
CID 66548508
1-(cyclopentylmethyl)-3-pyridin-3-ylurea
CID 47166711
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926249
3-(cyclohexylsulfonylmethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 126777230
N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide
CID 86805127
3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride
CID 71645608

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea (CID 146087942) is 1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea is O=C(Nc1cccnc1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1.
What is the InChIKey of 1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea?
The InChIKey is PODMJASEFXTAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-19(22-17-8-5-11-20-13-17)21-16-7-4-6-15(12-16)14-26(24,25)18-9-2-1-3-10-18/h4-8,11-13,18H,1-3,9-10,14H2,(H2,21,22,23).
What are the key properties of 1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea?
1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea has a molecular weight of 373.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 146087942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).