5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide

C18H20N2O2S — CID 167619937

IUPAC5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
SMILESCC(=O)NCc1ccc(C(=O)N[C@@H]2CCc3cc(C)ccc32)s1
InChIInChI=1S/C18H20N2O2S/c1-11-3-6-15-13(9-11)4-7-16(15)20-18(22)17-8-5-14(23-17)10-19-12(2)21/h3,5-6,8-9,16H,4,7,10H2,1-2H3,(H,19,21)(H,20,22)/t16-/m1/s1
InChIKeyJWDDYTPSXKENHK-MRXNPFEDSA-N
MW328.44 g/mol
LogP3.11
Rot. Bonds4

About 5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide

5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide (PubChem CID 167619937) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
PubChem CID167619937
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
SMILESCC(=O)NCc1ccc(C(=O)N[C@@H]2CCc3cc(C)ccc32)s1
InChIInChI=1S/C18H20N2O2S/c1-11-3-6-15-13(9-11)4-7-16(15)20-18(22)17-8-5-14(23-17)10-19-12(2)21/h3,5-6,8-9,16H,4,7,10H2,1-2H3,(H,19,21)(H,20,22)/t16-/m1/s1
InChIKeyJWDDYTPSXKENHK-MRXNPFEDSA-N
XLogP3.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide 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 5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide (CID 167619937) is 5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide is CC(=O)NCc1ccc(C(=O)N[C@@H]2CCc3cc(C)ccc32)s1.
What is the InChIKey of 5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide?
The InChIKey is JWDDYTPSXKENHK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-11-3-6-15-13(9-11)4-7-16(15)20-18(22)17-8-5-14(23-17)10-19-12(2)21/h3,5-6,8-9,16H,4,7,10H2,1-2H3,(H,19,21)(H,20,22)/t16-/m1/s1.
What are the key properties of 5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide?
5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 167619937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).