N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride

C16H20ClN3O2S — CID 119524473

IUPACN-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1cccc(NC(=O)c2cccs2)c1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-16(2,10-17)19-14(20)11-5-3-6-12(9-11)18-15(21)13-7-4-8-22-13;/h3-9H,10,17H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyBYZMVOPJJPIYTF-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.89
Rot. Bonds5

About N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride

N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119524473) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119524473
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC NameN-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1cccc(NC(=O)c2cccs2)c1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-16(2,10-17)19-14(20)11-5-3-6-12(9-11)18-15(21)13-7-4-8-22-13;/h3-9H,10,17H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyBYZMVOPJJPIYTF-UHFFFAOYSA-N
XLogP2.89
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 24696686
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CID 119701089
N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride
CID 119523789
N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18140938
N-[3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
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N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119591586
N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119521422
N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 18161069

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride (CID 119524473) is N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride is CC(C)(CN)NC(=O)c1cccc(NC(=O)c2cccs2)c1.Cl.
What is the InChIKey of N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is BYZMVOPJJPIYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S.ClH/c1-16(2,10-17)19-14(20)11-5-3-6-12(9-11)18-15(21)13-7-4-8-22-13;/h3-9H,10,17H2,1-2H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride?
N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119524473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).