N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride

C19H26ClN3O2S — CID 119629762

IUPACN-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cccc(NC(=O)CCCc2cccs2)c1.Cl
InChIInChI=1S/C19H25N3O2S.ClH/c1-19(2,20)13-21-18(24)14-6-3-7-15(12-14)22-17(23)10-4-8-16-9-5-11-25-16;/h3,5-7,9,11-12H,4,8,10,13,20H2,1-2H3,(H,21,24)(H,22,23);1H
InChIKeyVLAPUJYPVBZZPN-UHFFFAOYSA-N
MW395.96 g/mol
LogP3.60
Rot. Bonds8

About N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride

N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride (PubChem CID 119629762) has the molecular formula C19H26ClN3O2S and a molecular weight of 395.96 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
PubChem CID119629762
Molecular FormulaC19H26ClN3O2S
Molecular Weight395.96 g/mol
Exact Mass395.14
IUPAC NameN-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cccc(NC(=O)CCCc2cccs2)c1.Cl
InChIInChI=1S/C19H25N3O2S.ClH/c1-19(2,20)13-21-18(24)14-6-3-7-15(12-14)22-17(23)10-4-8-16-9-5-11-25-16;/h3,5-7,9,11-12H,4,8,10,13,20H2,1-2H3,(H,21,24)(H,22,23);1H
InChIKeyVLAPUJYPVBZZPN-UHFFFAOYSA-N
XLogP3.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.96
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119384896
(2S)-2-[[3-(4-thiophen-2-ylbutanoylamino)benzoyl]amino]propanoic acid
CID 119238490
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796
N-[(4-methylsulfonylphenyl)methyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55961656
N-(4-aminocyclohexyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119478213
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55969629
N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723792
N-[3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55966949
N-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723788
3-(3-thiophen-2-ylpropanoylamino)benzamide
CID 17436122
N-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723262
N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 56577546

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride (CID 119629762) is N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride is CC(C)(N)CNC(=O)c1cccc(NC(=O)CCCc2cccs2)c1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride?
The InChIKey is VLAPUJYPVBZZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S.ClH/c1-19(2,20)13-21-18(24)14-6-3-7-15(12-14)22-17(23)10-4-8-16-9-5-11-25-16;/h3,5-7,9,11-12H,4,8,10,13,20H2,1-2H3,(H,21,24)(H,22,23);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride has a molecular weight of 395.96 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119629762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).