N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid

C24H28N2O5S — CID 69047947

IUPACN-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)CN)cc2)cc1OC.O=C(O)c1ccsc1
InChIInChI=1S/C19H24N2O3.C5H4O2S/c1-19(2,12-20)14-6-8-15(9-7-14)21-18(22)13-5-10-16(23-3)17(11-13)24-4;6-5(7)4-1-2-8-3-4/h5-11H,12,20H2,1-4H3,(H,21,22);1-3H,(H,6,7)
InChIKeyPBMMYEPFUZLPKS-UHFFFAOYSA-N
MW456.56 g/mol
LogP4.64
Rot. Bonds7

About N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid

N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid (PubChem CID 69047947) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid.

Molecular Properties

Compound NameN-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid
PubChem CID69047947
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC NameN-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)CN)cc2)cc1OC.O=C(O)c1ccsc1
InChIInChI=1S/C19H24N2O3.C5H4O2S/c1-19(2,12-20)14-6-8-15(9-7-14)21-18(22)13-5-10-16(23-3)17(11-13)24-4;6-5(7)4-1-2-8-3-4/h5-11H,12,20H2,1-4H3,(H,21,22);1-3H,(H,6,7)
InChIKeyPBMMYEPFUZLPKS-UHFFFAOYSA-N
XLogP4.64
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid 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

3,4-dimethoxy-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]benzamide
CID 67546361
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;N-[4-(2-cyanopropan-2-yl)-3-ethylphenyl]-3,4-dimethoxybenzamide
CID 69044116
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4-methoxybenzamide
CID 14698593
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate
CID 175265795
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide
CID 67545094
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid
CID 69045462
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid
CID 16771039
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide
CID 79601178

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid?
The IUPAC name of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid (CID 69047947) is N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid.
What is the SMILES notation for N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid?
The canonical SMILES for N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid is COc1ccc(C(=O)Nc2ccc(C(C)(C)CN)cc2)cc1OC.O=C(O)c1ccsc1.
What is the InChIKey of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid?
The InChIKey is PBMMYEPFUZLPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3.C5H4O2S/c1-19(2,12-20)14-6-8-15(9-7-14)21-18(22)13-5-10-16(23-3)17(11-13)24-4;6-5(7)4-1-2-8-3-4/h5-11H,12,20H2,1-4H3,(H,21,22);1-3H,(H,6,7).
What are the key properties of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid?
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid has a molecular weight of 456.56 g/mol, XLogP of 4.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid is sourced from PubChem (CID 69047947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).