N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide

C20H27N3O4S — CID 75430673

IUPACN-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(OC)cs2)cc1OC
InChIInChI=1S/C20H27N3O4S/c1-5-23(6-2)10-9-21-19(24)16-8-7-14(11-17(16)27-4)22-20(25)18-12-15(26-3)13-28-18/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyPZCSTVWYLKLVJQ-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.09
Rot. Bonds10

About N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide

N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide (PubChem CID 75430673) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide
PubChem CID75430673
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(OC)cs2)cc1OC
InChIInChI=1S/C20H27N3O4S/c1-5-23(6-2)10-9-21-19(24)16-8-7-14(11-17(16)27-4)22-20(25)18-12-15(26-3)13-28-18/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyPZCSTVWYLKLVJQ-UHFFFAOYSA-N
XLogP3.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxybenzoyl)amino]-2-methoxybenzamide
CID 66934739
N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide
CID 142817541
N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide
CID 142899826
N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide
CID 12790645
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
CID 75430674
N-[4-[(dimethylamino)methyl]phenyl]-4-methoxythiophene-2-carboxamide
CID 71982666
N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide
CID 58730741
N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 42755681
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]thiophene-2-carboxamide
CID 22459278
5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 5145883

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide (CID 75430673) is N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(OC)cs2)cc1OC.
What is the InChIKey of N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide?
The InChIKey is PZCSTVWYLKLVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-5-23(6-2)10-9-21-19(24)16-8-7-14(11-17(16)27-4)22-20(25)18-12-15(26-3)13-28-18/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide?
N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 3.09, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 75430673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).