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

C20H18N2O4S — CID 1078727

IUPACN-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1OC
InChIInChI=1S/C20H18N2O4S/c1-25-16-9-8-13(11-17(16)26-2)19(23)21-14-5-3-6-15(12-14)22-20(24)18-7-4-10-27-18/h3-12H,1-2H3,(H,21,23)(H,22,24)
InChIKeyDIXYEHIPLZUJIV-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.27
Rot. Bonds6

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

N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 1078727) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID1078727
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1OC
InChIInChI=1S/C20H18N2O4S/c1-25-16-9-8-13(11-17(16)26-2)19(23)21-14-5-3-6-15(12-14)22-20(24)18-7-4-10-27-18/h3-12H,1-2H3,(H,21,23)(H,22,24)
InChIKeyDIXYEHIPLZUJIV-UHFFFAOYSA-N
XLogP4.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Flt-3 inhibitor
CID 1048845
N-[2-amino-5-(thiophen-2-yl)phenyl]-4-methoxybenzamide
CID 23648268
N-(3-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}phenyl)thiophene-2-carboxamide
CID 1164619
2-(3,4-Dimethoxybenzamido)-4,5-dimethylthiophene-3-carboxamide
CID 841038
2-(3,4-Dimethoxybenzamido)thiophene-3-carboxamide
CID 4106590
N-[(1E)-3-hydrazinyl-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3,4-dimethoxybenzamide
CID 1636749
3,4-dimethoxy-N-[3-(methylsulfonyl)phenyl]benzamide
CID 1506534
N-{(1Z)-1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
CID 1946933
N-{(1Z)-1-(3,4-dimethoxyphenyl)-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
CID 1968406
3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiophen-2-yl)benzamide
CID 45267253
3,4,5-trimethoxy-N-[4-(2-thienylcarbonyl)phenyl]benzamide
CID 992725
Benzo[1,3]dioxole-5-carboxylic acid (3-propionylamino-phenyl)-amide
CID 647324

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide (CID 1078727) is N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide is COc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1OC.
What is the InChIKey of N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is DIXYEHIPLZUJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-25-16-9-8-13(11-17(16)26-2)19(23)21-14-5-3-6-15(12-14)22-20(24)18-7-4-10-27-18/h3-12H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1078727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).