N-(3-amino-2,2-dimethylpropyl)-2-[(4-chloro-2-hydroxybenzoyl)amino]-N-methylthiophene-3-carboxamide

C18H22ClN3O3S — CID 119655351

IUPACN-(3-amino-2,2-dimethylpropyl)-2-[(4-chloro-2-hydroxybenzoyl)amino]-N-methylthiophene-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C18H22ClN3O3S/c1-18(2,9-20)10-22(3)17(25)13-6-7-26-16(13)21-15(24)12-5-4-11(19)8-14(12)23/h4-8,23H,9-10,20H2,1-3H3,(H,21,24)
InChIKeySJTGHFQQPXKRFR-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.42
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2-[(4-chloro-2-hydroxybenzoyl)amino]-N-methylthiophene-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-2-[(4-chloro-2-hydroxybenzoyl)amino]-N-methylthiophene-3-carboxamide (PubChem CID 119655351) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-[(4-chloro-2-hydroxybenzoyl)amino]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-[(4-chloro-2-hydroxybenzoyl)amino]-N-methylthiophene-3-carboxamide
PubChem CID119655351
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-[(4-chloro-2-hydroxybenzoyl)amino]-N-methylthiophene-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C18H22ClN3O3S/c1-18(2,9-20)10-22(3)17(25)13-6-7-26-16(13)21-15(24)12-5-4-11(19)8-14(12)23/h4-8,23H,9-10,20H2,1-3H3,(H,21,24)
InChIKeySJTGHFQQPXKRFR-UHFFFAOYSA-N
XLogP3.42
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-[(4-chloro-2-hydroxybenzoyl)amino]-N-methylthiophene-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-[(4-chloro-2-hydroxybenzoyl)amino]-N-methylthiophene-3-carboxamide (CID 119655351) is N-(3-amino-2,2-dimethylpropyl)-2-[(4-chloro-2-hydroxybenzoyl)amino]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-[(4-chloro-2-hydroxybenzoyl)amino]-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-[(4-chloro-2-hydroxybenzoyl)amino]-N-methylthiophene-3-carboxamide is CN(CC(C)(C)CN)C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-[(4-chloro-2-hydroxybenzoyl)amino]-N-methylthiophene-3-carboxamide?
The InChIKey is SJTGHFQQPXKRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-18(2,9-20)10-22(3)17(25)13-6-7-26-16(13)21-15(24)12-5-4-11(19)8-14(12)23/h4-8,23H,9-10,20H2,1-3H3,(H,21,24).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-[(4-chloro-2-hydroxybenzoyl)amino]-N-methylthiophene-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-2-[(4-chloro-2-hydroxybenzoyl)amino]-N-methylthiophene-3-carboxamide has a molecular weight of 395.91 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-[(4-chloro-2-hydroxybenzoyl)amino]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 119655351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).