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

C17H22ClN3O2S — CID 119384896

IUPACN-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1cccc(NC(=O)CCCc2cccs2)c1
InChIInChI=1S/C17H21N3O2S.ClH/c18-9-10-19-17(22)13-4-1-5-14(12-13)20-16(21)8-2-6-15-7-3-11-23-15;/h1,3-5,7,11-12H,2,6,8-10,18H2,(H,19,22)(H,20,21);1H
InChIKeyDFMYXEXGJCPNNG-UHFFFAOYSA-N
MW367.90 g/mol
LogP2.82
Rot. Bonds8

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

N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride (PubChem CID 119384896) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
PubChem CID119384896
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC NameN-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1cccc(NC(=O)CCCc2cccs2)c1
InChIInChI=1S/C17H21N3O2S.ClH/c18-9-10-19-17(22)13-4-1-5-14(12-13)20-16(21)8-2-6-15-7-3-11-23-15;/h1,3-5,7,11-12H,2,6,8-10,18H2,(H,19,22)(H,20,21);1H
InChIKeyDFMYXEXGJCPNNG-UHFFFAOYSA-N
XLogP2.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119629762
N-(4-aminocyclohexyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119478213
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55969629
(2S)-2-[[3-(4-thiophen-2-ylbutanoylamino)benzoyl]amino]propanoic acid
CID 119238490
N-[(4-methylsulfonylphenyl)methyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55961656
3-(3-thiophen-2-ylpropanoylamino)benzamide
CID 17436122
N-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723262
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
N-[3-(4-aminopiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119376176
N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723792

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride (CID 119384896) is N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride is Cl.NCCNC(=O)c1cccc(NC(=O)CCCc2cccs2)c1.
What is the InChIKey of N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride?
The InChIKey is DFMYXEXGJCPNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S.ClH/c18-9-10-19-17(22)13-4-1-5-14(12-13)20-16(21)8-2-6-15-7-3-11-23-15;/h1,3-5,7,11-12H,2,6,8-10,18H2,(H,19,22)(H,20,21);1H.
What are the key properties of N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride?
N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119384896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).