N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]thiophene-3-carboxamide

C18H20N2O3S — CID 51104166

IUPACN-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]thiophene-3-carboxamide
SMILESCc1cc(C)c2c(c1)C(NC(=O)CNC(=O)c1ccsc1)CCO2
InChIInChI=1S/C18H20N2O3S/c1-11-7-12(2)17-14(8-11)15(3-5-23-17)20-16(21)9-19-18(22)13-4-6-24-10-13/h4,6-8,10,15H,3,5,9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMISGGMVYQQASGE-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.73
Rot. Bonds4

About N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]thiophene-3-carboxamide

N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 51104166) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]thiophene-3-carboxamide
PubChem CID51104166
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]thiophene-3-carboxamide
SMILESCc1cc(C)c2c(c1)C(NC(=O)CNC(=O)c1ccsc1)CCO2
InChIInChI=1S/C18H20N2O3S/c1-11-7-12(2)17-14(8-11)15(3-5-23-17)20-16(21)9-19-18(22)13-4-6-24-10-13/h4,6-8,10,15H,3,5,9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMISGGMVYQQASGE-UHFFFAOYSA-N
XLogP2.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]thiophene-3-carboxamide (CID 51104166) is N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]thiophene-3-carboxamide is Cc1cc(C)c2c(c1)C(NC(=O)CNC(=O)c1ccsc1)CCO2.
What is the InChIKey of N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is MISGGMVYQQASGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-11-7-12(2)17-14(8-11)15(3-5-23-17)20-16(21)9-19-18(22)13-4-6-24-10-13/h4,6-8,10,15H,3,5,9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]thiophene-3-carboxamide?
N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 51104166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).