2-[(3,4-dimethoxybenzoyl)amino]thiophene-3-carboxamide

C14H14N2O4S — CID 4106590

IUPAC2-[(3,4-dimethoxybenzoyl)amino]thiophene-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2sccc2C(N)=O)cc1OC
InChIInChI=1S/C14H14N2O4S/c1-19-10-4-3-8(7-11(10)20-2)13(18)16-14-9(12(15)17)5-6-21-14/h3-7H,1-2H3,(H2,15,17)(H,16,18)
InChIKeyLORRZRFBMUDPOE-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.12
Rot. Bonds5

About 2-[(3,4-dimethoxybenzoyl)amino]thiophene-3-carboxamide

2-[(3,4-dimethoxybenzoyl)amino]thiophene-3-carboxamide (PubChem CID 4106590) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[(3,4-dimethoxybenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxybenzoyl)amino]thiophene-3-carboxamide
PubChem CID4106590
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-[(3,4-dimethoxybenzoyl)amino]thiophene-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2sccc2C(N)=O)cc1OC
InChIInChI=1S/C14H14N2O4S/c1-19-10-4-3-8(7-11(10)20-2)13(18)16-14-9(12(15)17)5-6-21-14/h3-7H,1-2H3,(H2,15,17)(H,16,18)
InChIKeyLORRZRFBMUDPOE-UHFFFAOYSA-N
XLogP2.12
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Flt-3 inhibitor
CID 1048845
N-(3-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}phenyl)thiophene-2-carboxamide
CID 1164619
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 675881
2-(3,4-Dimethoxybenzamido)-4,5-dimethylthiophene-3-carboxamide
CID 841038
2-(3-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 961926
ethyl 5-acetyl-2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-4-methylthiophene-3-carboxylate
CID 1181173
2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide
CID 2104820
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 2476663
5-Ethyl-2-(3,4,5-trimethoxybenzamido)thiophene-3-carboxylic acid
CID 1082731
(E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 1181875
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide
CID 831009
2-[[4-(Difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide
CID 2132378

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxybenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-[(3,4-dimethoxybenzoyl)amino]thiophene-3-carboxamide (CID 4106590) is 2-[(3,4-dimethoxybenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(3,4-dimethoxybenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[(3,4-dimethoxybenzoyl)amino]thiophene-3-carboxamide is COc1ccc(C(=O)Nc2sccc2C(N)=O)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxybenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is LORRZRFBMUDPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-19-10-4-3-8(7-11(10)20-2)13(18)16-14-9(12(15)17)5-6-21-14/h3-7H,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 2-[(3,4-dimethoxybenzoyl)amino]thiophene-3-carboxamide?
2-[(3,4-dimethoxybenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxybenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 4106590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).