N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride

C17H22ClN3O2S — CID 119701089

IUPACN-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1cccc(NC(=O)c2cccs2)c1.Cl
InChIInChI=1S/C17H21N3O2S.ClH/c1-3-9-17(2,18)16(22)20-13-7-4-6-12(11-13)19-15(21)14-8-5-10-23-14;/h4-8,10-11H,3,9,18H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyXRQCQLDEYBUDRL-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.88
Rot. Bonds6

About N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride

N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119701089) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119701089
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC NameN-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1cccc(NC(=O)c2cccs2)c1.Cl
InChIInChI=1S/C17H21N3O2S.ClH/c1-3-9-17(2,18)16(22)20-13-7-4-6-12(11-13)19-15(21)14-8-5-10-23-14;/h4-8,10-11H,3,9,18H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyXRQCQLDEYBUDRL-UHFFFAOYSA-N
XLogP3.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride
CID 119764489
2-amino-N-(3-ethynylphenyl)-2-methylpentanamide
CID 60847163
N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119524473
N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 7268815
3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119643191
2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide
CID 119789921
2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide
CID 119790069
2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride
CID 119781400
2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide
CID 119770554
2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride
CID 119814954

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride (CID 119701089) is N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride is CCCC(C)(N)C(=O)Nc1cccc(NC(=O)c2cccs2)c1.Cl.
What is the InChIKey of N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is XRQCQLDEYBUDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S.ClH/c1-3-9-17(2,18)16(22)20-13-7-4-6-12(11-13)19-15(21)14-8-5-10-23-14;/h4-8,10-11H,3,9,18H2,1-2H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride?
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of 3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119701089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).