N-[5-[(4aS,7aR)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-2-methylphenyl]cyclopropanecarboxamide

C18H23N3O4S — CID 50971762

IUPACN-[5-[(4aS,7aR)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-2-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc1NC(=O)C1CC1
InChIInChI=1S/C18H23N3O4S/c1-11-2-3-13(8-14(11)20-17(22)12-4-5-12)18(23)21-7-6-19-15-9-26(24,25)10-16(15)21/h2-3,8,12,15-16,19H,4-7,9-10H2,1H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyWUADNUYRPOVWKU-JKSUJKDBSA-N
MW377.47 g/mol
LogP0.55
Rot. Bonds3

About N-[5-[(4aS,7aR)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-2-methylphenyl]cyclopropanecarboxamide

N-[5-[(4aS,7aR)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-2-methylphenyl]cyclopropanecarboxamide (PubChem CID 50971762) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[5-[(4aS,7aR)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-2-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[(4aS,7aR)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-2-methylphenyl]cyclopropanecarboxamide
PubChem CID50971762
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[5-[(4aS,7aR)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-2-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc1NC(=O)C1CC1
InChIInChI=1S/C18H23N3O4S/c1-11-2-3-13(8-14(11)20-17(22)12-4-5-12)18(23)21-7-6-19-15-9-26(24,25)10-16(15)21/h2-3,8,12,15-16,19H,4-7,9-10H2,1H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyWUADNUYRPOVWKU-JKSUJKDBSA-N
XLogP0.55
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(4aS,7aR)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-2-methylphenyl]cyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4aS,7aR)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-2-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[(4aS,7aR)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-2-methylphenyl]cyclopropanecarboxamide (CID 50971762) is N-[5-[(4aS,7aR)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-2-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[(4aS,7aR)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-2-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[(4aS,7aR)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-2-methylphenyl]cyclopropanecarboxamide is Cc1ccc(C(=O)N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc1NC(=O)C1CC1.
What is the InChIKey of N-[5-[(4aS,7aR)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-2-methylphenyl]cyclopropanecarboxamide?
The InChIKey is WUADNUYRPOVWKU-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-11-2-3-13(8-14(11)20-17(22)12-4-5-12)18(23)21-7-6-19-15-9-26(24,25)10-16(15)21/h2-3,8,12,15-16,19H,4-7,9-10H2,1H3,(H,20,22)/t15-,16+/m0/s1.
What are the key properties of N-[5-[(4aS,7aR)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-2-methylphenyl]cyclopropanecarboxamide?
N-[5-[(4aS,7aR)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-2-methylphenyl]cyclopropanecarboxamide has a molecular weight of 377.47 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4aS,7aR)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-2-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 50971762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).