N-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide

C19H18N2O4S — CID 167848019

IUPACN-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)CCCNC(=O)c3ccsc3)ccc12
InChIInChI=1S/C19H18N2O4S/c1-12-9-18(23)25-16-10-14(4-5-15(12)16)21-17(22)3-2-7-20-19(24)13-6-8-26-11-13/h4-6,8-11H,2-3,7H2,1H3,(H,20,24)(H,21,22)
InChIKeyGRDZOLAZGKQFIM-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.31
Rot. Bonds6

About N-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide

N-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 167848019) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
PubChem CID167848019
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC NameN-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)CCCNC(=O)c3ccsc3)ccc12
InChIInChI=1S/C19H18N2O4S/c1-12-9-18(23)25-16-10-14(4-5-15(12)16)21-17(22)3-2-7-20-19(24)13-6-8-26-11-13/h4-6,8-11H,2-3,7H2,1H3,(H,20,24)(H,21,22)
InChIKeyGRDZOLAZGKQFIM-UHFFFAOYSA-N
XLogP3.31
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 10758804
N-[4-(4-acetamidoanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17497888
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956
N-[4-(2,6-dimethylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191802
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
N-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 26702247
N-[4-[3-(difluoromethyl)-4-methylsulfonylanilino]-4-oxobutyl]thiophene-3-carboxamide
CID 75400886
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 30266946
3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
CID 26878521
N-[4-(3-fluoro-4-pyrrolidin-1-ylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 55889409
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide
CID 18170333

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide (CID 167848019) is N-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide is Cc1cc(=O)oc2cc(NC(=O)CCCNC(=O)c3ccsc3)ccc12.
What is the InChIKey of N-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is GRDZOLAZGKQFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-12-9-18(23)25-16-10-14(4-5-15(12)16)21-17(22)3-2-7-20-19(24)13-6-8-26-11-13/h4-6,8-11H,2-3,7H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
N-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 167848019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).