1-cyano-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide

C21H24N4O5S — CID 45484116

IUPAC1-cyano-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
SMILESCOc1ccc(CCN2C(=O)N(NS(=O)(=O)CC#N)C[C@@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H24N4O5S/c1-29-18-7-3-16(4-8-18)11-13-24-20(17-5-9-19(30-2)10-6-17)15-25(21(24)26)23-31(27,28)14-12-22/h3-10,20,23H,11,13-15H2,1-2H3/t20-/m1/s1
InChIKeyFAPNSGCVSUELJK-HXUWFJFHSA-N
MW444.51 g/mol
LogP2.08
Rot. Bonds9

About 1-cyano-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide

1-cyano-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide (PubChem CID 45484116) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is 1-cyano-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
PubChem CID45484116
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name1-cyano-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
SMILESCOc1ccc(CCN2C(=O)N(NS(=O)(=O)CC#N)C[C@@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H24N4O5S/c1-29-18-7-3-16(4-8-18)11-13-24-20(17-5-9-19(30-2)10-6-17)15-25(21(24)26)23-31(27,28)14-12-22/h3-10,20,23H,11,13-15H2,1-2H3/t20-/m1/s1
InChIKeyFAPNSGCVSUELJK-HXUWFJFHSA-N
XLogP2.08
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
The IUPAC name of 1-cyano-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide (CID 45484116) is 1-cyano-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide.
What is the SMILES notation for 1-cyano-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
The canonical SMILES for 1-cyano-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide is COc1ccc(CCN2C(=O)N(NS(=O)(=O)CC#N)C[C@@H]2c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-cyano-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
The InChIKey is FAPNSGCVSUELJK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-29-18-7-3-16(4-8-18)11-13-24-20(17-5-9-19(30-2)10-6-17)15-25(21(24)26)23-31(27,28)14-12-22/h3-10,20,23H,11,13-15H2,1-2H3/t20-/m1/s1.
What are the key properties of 1-cyano-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
1-cyano-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide has a molecular weight of 444.51 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(4S)-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide is sourced from PubChem (CID 45484116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).