4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide

C17H20N2O3S — CID 4951886

IUPAC4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(OC(C)C)cc2)c(C(N)=O)c1C
InChIInChI=1S/C17H20N2O3S/c1-9(2)22-13-7-5-12(6-8-13)16(21)19-17-14(15(18)20)10(3)11(4)23-17/h5-9H,1-4H3,(H2,18,20)(H,19,21)
InChIKeyBDJVFHAXINUBJA-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.50
Rot. Bonds5

About 4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide

4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide (PubChem CID 4951886) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide
PubChem CID4951886
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(OC(C)C)cc2)c(C(N)=O)c1C
InChIInChI=1S/C17H20N2O3S/c1-9(2)22-13-7-5-12(6-8-13)16(21)19-17-14(15(18)20)10(3)11(4)23-17/h5-9H,1-4H3,(H2,18,20)(H,19,21)
InChIKeyBDJVFHAXINUBJA-UHFFFAOYSA-N
XLogP3.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 841038
ethyl 2-[[4-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 5107555
2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 4957428
4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide
CID 4950022
4,5-dimethyl-2-[2-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide
CID 2971404
propan-2-yl 4,5-dimethyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate
CID 5211672
2-[(2,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 844073
2-[(4-butoxybenzoyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide
CID 4936611
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
ethyl 2-[(4-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 587143
4,5-dimethyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide
CID 4954977

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide (CID 4951886) is 4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide is Cc1sc(NC(=O)c2ccc(OC(C)C)cc2)c(C(N)=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is BDJVFHAXINUBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-9(2)22-13-7-5-12(6-8-13)16(21)19-17-14(15(18)20)10(3)11(4)23-17/h5-9H,1-4H3,(H2,18,20)(H,19,21).
What are the key properties of 4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide?
4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 4951886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).