N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

C19H20N2O4S — CID 108805183

IUPACN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCc1sc(NC(=O)c2ccc3c(c2)C(=O)CC(C)(C)O3)c(C(N)=O)c1C
InChIInChI=1S/C19H20N2O4S/c1-9-10(2)26-18(15(9)16(20)23)21-17(24)11-5-6-14-12(7-11)13(22)8-19(3,4)25-14/h5-7H,8H2,1-4H3,(H2,20,23)(H,21,24)
InChIKeyMDVAHHYZXDODLK-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.46
Rot. Bonds3

About N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (PubChem CID 108805183) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
PubChem CID108805183
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCc1sc(NC(=O)c2ccc3c(c2)C(=O)CC(C)(C)O3)c(C(N)=O)c1C
InChIInChI=1S/C19H20N2O4S/c1-9-10(2)26-18(15(9)16(20)23)21-17(24)11-5-6-14-12(7-11)13(22)8-19(3,4)25-14/h5-7H,8H2,1-4H3,(H2,20,23)(H,21,24)
InChIKeyMDVAHHYZXDODLK-UHFFFAOYSA-N
XLogP3.46
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide with MolForge

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Related Compounds

N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108740722
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793302
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793309
5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid
CID 108793250
4-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxybenzoic acid
CID 108744223
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805246
2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxybutanoic acid
CID 108793252
2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid
CID 108805124
N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805240
2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 841038
N-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108739125

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The IUPAC name of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (CID 108805183) is N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is Cc1sc(NC(=O)c2ccc3c(c2)C(=O)CC(C)(C)O3)c(C(N)=O)c1C.
What is the InChIKey of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The InChIKey is MDVAHHYZXDODLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-9-10(2)26-18(15(9)16(20)23)21-17(24)11-5-6-14-12(7-11)13(22)8-19(3,4)25-14/h5-7H,8H2,1-4H3,(H2,20,23)(H,21,24).
What are the key properties of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is sourced from PubChem (CID 108805183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).