N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride

C18H24ClN3O2S — CID 119654505

IUPACN-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1ccccc1NC(=O)c1ccsc1.Cl
InChIInChI=1S/C18H23N3O2S.ClH/c1-18(2,11-19)12-21(3)17(23)14-6-4-5-7-15(14)20-16(22)13-8-9-24-10-13;/h4-10H,11-12,19H2,1-3H3,(H,20,22);1H
InChIKeyPDMPXMOSUSLXRT-UHFFFAOYSA-N
MW381.93 g/mol
LogP3.48
Rot. Bonds6

About N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride

N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride (PubChem CID 119654505) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride
PubChem CID119654505
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC NameN-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1ccccc1NC(=O)c1ccsc1.Cl
InChIInChI=1S/C18H23N3O2S.ClH/c1-18(2,11-19)12-21(3)17(23)14-6-4-5-7-15(14)20-16(22)13-8-9-24-10-13;/h4-10H,11-12,19H2,1-3H3,(H,20,22);1H
InChIKeyPDMPXMOSUSLXRT-UHFFFAOYSA-N
XLogP3.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide
CID 119652343
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55455727
N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide
CID 119656314
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(propylsulfonylamino)benzamide;hydrochloride
CID 119652704
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872
N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride
CID 119656288
N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 55522622
(2-amino-2-oxoethyl) 2-(thiophene-3-carbonylamino)benzoate
CID 9452238
N-(3-amino-2,2-dimethylpropyl)-N,2,3-trimethylbenzamide
CID 79652302
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide
CID 119655514
N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide
CID 4937393
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-3-ylacetamide
CID 79652303

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride (CID 119654505) is N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride is CN(CC(C)(C)CN)C(=O)c1ccccc1NC(=O)c1ccsc1.Cl.
What is the InChIKey of N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride?
The InChIKey is PDMPXMOSUSLXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S.ClH/c1-18(2,11-19)12-21(3)17(23)14-6-4-5-7-15(14)20-16(22)13-8-9-24-10-13;/h4-10H,11-12,19H2,1-3H3,(H,20,22);1H.
What are the key properties of N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride?
N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride has a molecular weight of 381.93 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119654505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).