N-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide

C23H32N4O4S — CID 57394685

IUPACN-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@H]2CCN(C3CC3)CC2(C)C)cc1
InChIInChI=1S/C23H32N4O4S/c1-16-4-8-18(9-5-16)32(30,31)27-13-11-24-22(29)19(27)14-21(28)25-20-10-12-26(17-6-7-17)15-23(20,2)3/h4-5,8-9,11,13,17,19-20H,6-7,10,12,14-15H2,1-3H3,(H,24,29)(H,25,28)/t19-,20+/m1/s1
InChIKeyVHJKPIKQKYEFLV-UXHICEINSA-N
MW460.60 g/mol
LogP1.72
Rot. Bonds6

About N-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide

N-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide (PubChem CID 57394685) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
PubChem CID57394685
Molecular FormulaC23H32N4O4S
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC NameN-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@H]2CCN(C3CC3)CC2(C)C)cc1
InChIInChI=1S/C23H32N4O4S/c1-16-4-8-18(9-5-16)32(30,31)27-13-11-24-22(29)19(27)14-21(28)25-20-10-12-26(17-6-7-17)15-23(20,2)3/h4-5,8-9,11,13,17,19-20H,6-7,10,12,14-15H2,1-3H3,(H,24,29)(H,25,28)/t19-,20+/m1/s1
InChIKeyVHJKPIKQKYEFLV-UXHICEINSA-N
XLogP1.72
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide?
The IUPAC name of N-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide (CID 57394685) is N-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide.
What is the SMILES notation for N-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide?
The canonical SMILES for N-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide is Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@H]2CCN(C3CC3)CC2(C)C)cc1.
What is the InChIKey of N-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide?
The InChIKey is VHJKPIKQKYEFLV-UXHICEINSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-16-4-8-18(9-5-16)32(30,31)27-13-11-24-22(29)19(27)14-21(28)25-20-10-12-26(17-6-7-17)15-23(20,2)3/h4-5,8-9,11,13,17,19-20H,6-7,10,12,14-15H2,1-3H3,(H,24,29)(H,25,28)/t19-,20+/m1/s1.
What are the key properties of N-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide?
N-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide has a molecular weight of 460.60 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide is sourced from PubChem (CID 57394685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).