N-(2-amino-1-cyclopropylethyl)-3,4,6-trichloro-1-benzothiophene-2-carboxamide;hydrochloride

C14H14Cl4N2OS — CID 119614762

IUPACN-(2-amino-1-cyclopropylethyl)-3,4,6-trichloro-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)C1CC1
InChIInChI=1S/C14H13Cl3N2OS.ClH/c15-7-3-8(16)11-10(4-7)21-13(12(11)17)14(20)19-9(5-18)6-1-2-6;/h3-4,6,9H,1-2,5,18H2,(H,19,20);1H
InChIKeyWGFRXAQWYINPRZ-UHFFFAOYSA-N
MW400.16 g/mol
LogP4.75
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-3,4,6-trichloro-1-benzothiophene-2-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3,4,6-trichloro-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 119614762) has the molecular formula C14H14Cl4N2OS and a molecular weight of 400.16 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3,4,6-trichloro-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3,4,6-trichloro-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID119614762
Molecular FormulaC14H14Cl4N2OS
Molecular Weight400.16 g/mol
Exact Mass397.96
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3,4,6-trichloro-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)C1CC1
InChIInChI=1S/C14H13Cl3N2OS.ClH/c15-7-3-8(16)11-10(4-7)21-13(12(11)17)14(20)19-9(5-18)6-1-2-6;/h3-4,6,9H,1-2,5,18H2,(H,19,20);1H
InChIKeyWGFRXAQWYINPRZ-UHFFFAOYSA-N
XLogP4.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.16
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-5-chlorothiophene-2-carboxamide;hydrochloride
CID 119617339
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4,6-trichloro-1-benzothiophene-2-carboxamide
CID 134047744
ethyl 3,4,6-trichloro-1-benzothiophene-2-carboxylate
CID 132590861
3,4,6-trichloro-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 47100241
3,4,6-trichloro-N-(oxan-2-yloxy)-1-benzothiophene-2-carboxamide
CID 60613090
3,4,6-trichloro-N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 120600139
N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119613670
ethyl N-[2-[(3,4,6-trichloro-1-benzothiophene-2-carbonyl)amino]ethyl]carbamate
CID 56558671
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
CID 82883177
N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119614140
N-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119614679

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,4,6-trichloro-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,4,6-trichloro-1-benzothiophene-2-carboxamide;hydrochloride (CID 119614762) is N-(2-amino-1-cyclopropylethyl)-3,4,6-trichloro-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3,4,6-trichloro-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3,4,6-trichloro-1-benzothiophene-2-carboxamide;hydrochloride is Cl.NCC(NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3,4,6-trichloro-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is WGFRXAQWYINPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N2OS.ClH/c15-7-3-8(16)11-10(4-7)21-13(12(11)17)14(20)19-9(5-18)6-1-2-6;/h3-4,6,9H,1-2,5,18H2,(H,19,20);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3,4,6-trichloro-1-benzothiophene-2-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3,4,6-trichloro-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 400.16 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3,4,6-trichloro-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119614762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).