1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea

C29H29N3O4S — CID 118950814

IUPAC1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
SMILESCCOc1ccc(-c2cccnc2[C@@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1
InChIInChI=1S/C29H29N3O4S/c1-3-36-24-17-15-23(16-18-24)25-13-9-19-30-28(25)26(20-22-11-5-4-6-12-22)31-29(33)32-37(34,35)27-14-8-7-10-21(27)2/h4-19,26H,3,20H2,1-2H3,(H2,31,32,33)/t26-/m1/s1
InChIKeyHKZCKODSQWQZKX-AREMUKBSSA-N
MW515.64 g/mol
LogP5.43
Rot. Bonds9

About 1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea

1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea (PubChem CID 118950814) has the molecular formula C29H29N3O4S and a molecular weight of 515.64 g/mol. Its IUPAC name is 1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
PubChem CID118950814
Molecular FormulaC29H29N3O4S
Molecular Weight515.64 g/mol
Exact Mass515.19
IUPAC Name1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
SMILESCCOc1ccc(-c2cccnc2[C@@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1
InChIInChI=1S/C29H29N3O4S/c1-3-36-24-17-15-23(16-18-24)25-13-9-19-30-28(25)26(20-22-11-5-4-6-12-22)31-29(33)32-37(34,35)27-14-8-7-10-21(27)2/h4-19,26H,3,20H2,1-2H3,(H2,31,32,33)/t26-/m1/s1
InChIKeyHKZCKODSQWQZKX-AREMUKBSSA-N
XLogP5.43
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.64
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950643
1-(2-chlorophenyl)sulfonyl-3-[(1S)-1-(3-isoquinolin-7-yl-2-pyridinyl)-2-phenylethyl]urea
CID 118950639
1-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950753
1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950529
1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950919
1-[2-(3,5-difluorophenyl)-2-[3-[4-[(dimethylamino)methyl]phenyl]-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950703
N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide
CID 122510074
5-[2-[1-[(2-chlorophenyl)sulfonylcarbamoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 118950632
N-[2-phenyl-1-(3-phenyl-2-pyridinyl)ethyl]-2-pyrazol-1-ylacetamide
CID 162471132
1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-(4-nitrophenyl)imidazol-2-yl]-2-phenylethyl]urea
CID 118951002
1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea
CID 149053875
(2S)-N-(4-methoxyphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 118037856

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea?
The IUPAC name of 1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea (CID 118950814) is 1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea is CCOc1ccc(-c2cccnc2[C@@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1.
What is the InChIKey of 1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea?
The InChIKey is HKZCKODSQWQZKX-AREMUKBSSA-N. The full InChI is InChI=1S/C29H29N3O4S/c1-3-36-24-17-15-23(16-18-24)25-13-9-19-30-28(25)26(20-22-11-5-4-6-12-22)31-29(33)32-37(34,35)27-14-8-7-10-21(27)2/h4-19,26H,3,20H2,1-2H3,(H2,31,32,33)/t26-/m1/s1.
What are the key properties of 1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea?
1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea has a molecular weight of 515.64 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea is sourced from PubChem (CID 118950814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).