(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide

C23H23N3O4S — CID 41301101

IUPAC(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide
SMILESCOc1ccc([C@H]2N(C(=O)Nc3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O4S/c1-30-20-14-12-18(13-15-20)22-25(23(27)24-19-8-4-2-5-9-19)16-17-26(22)31(28,29)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyLQWWXTBVPMVHDW-QFIPXVFZSA-N
MW437.52 g/mol
LogP3.93
Rot. Bonds5

About (2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide

(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide (PubChem CID 41301101) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is (2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide
PubChem CID41301101
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide
SMILESCOc1ccc([C@H]2N(C(=O)Nc3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O4S/c1-30-20-14-12-18(13-15-20)22-25(23(27)24-19-8-4-2-5-9-19)16-17-26(22)31(28,29)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyLQWWXTBVPMVHDW-QFIPXVFZSA-N
XLogP3.93
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-(4-methylphenyl)methanone
CID 41354462
1-[(2R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone
CID 28565527
(NE)-N-[1-[3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]ethylidene]-4-methylbenzenesulfonamide
CID 46500083
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone
CID 742548
4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
2-chloro-1-[(2S)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
CID 7355204
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one
CID 6935280
1-(4-methoxyphenyl)-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810890
1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone
CID 17371151
1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone
CID 3368590
(2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine
CID 28887671

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide?
The IUPAC name of (2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide (CID 41301101) is (2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide.
What is the SMILES notation for (2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide?
The canonical SMILES for (2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide is COc1ccc([C@H]2N(C(=O)Nc3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide?
The InChIKey is LQWWXTBVPMVHDW-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-30-20-14-12-18(13-15-20)22-25(23(27)24-19-8-4-2-5-9-19)16-17-26(22)31(28,29)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3,(H,24,27)/t22-/m0/s1.
What are the key properties of (2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide?
(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide is sourced from PubChem (CID 41301101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).