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

C20H26ClN3O2S — CID 119591586

IUPACN-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cccc(NC(=O)c2cccs2)c1)C1CCCCC1
InChIInChI=1S/C20H25N3O2S.ClH/c21-13-17(14-6-2-1-3-7-14)23-19(24)15-8-4-9-16(12-15)22-20(25)18-10-5-11-26-18;/h4-5,8-12,14,17H,1-3,6-7,13,21H2,(H,22,25)(H,23,24);1H
InChIKeyLUQBMKXBDGPSPX-UHFFFAOYSA-N
MW407.97 g/mol
LogP4.06
Rot. Bonds6

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

N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119591586) has the molecular formula C20H26ClN3O2S and a molecular weight of 407.97 g/mol. Its IUPAC name is N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119591586
Molecular FormulaC20H26ClN3O2S
Molecular Weight407.97 g/mol
Exact Mass407.14
IUPAC NameN-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cccc(NC(=O)c2cccs2)c1)C1CCCCC1
InChIInChI=1S/C20H25N3O2S.ClH/c21-13-17(14-6-2-1-3-7-14)23-19(24)15-8-4-9-16(12-15)22-20(25)18-10-5-11-26-18;/h4-5,8-12,14,17H,1-3,6-7,13,21H2,(H,22,25)(H,23,24);1H
InChIKeyLUQBMKXBDGPSPX-UHFFFAOYSA-N
XLogP4.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.97
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119621057
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CID 119617687
N-[3-[2-(cycloheptylamino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119621058
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095
N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119591130
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide
CID 115309240
N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119524473
N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide
CID 119589426
N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 119616196
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 55380108
N-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 119591379

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride (CID 119591586) is N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride is Cl.NCC(NC(=O)c1cccc(NC(=O)c2cccs2)c1)C1CCCCC1.
What is the InChIKey of N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is LUQBMKXBDGPSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S.ClH/c21-13-17(14-6-2-1-3-7-14)23-19(24)15-8-4-9-16(12-15)22-20(25)18-10-5-11-26-18;/h4-5,8-12,14,17H,1-3,6-7,13,21H2,(H,22,25)(H,23,24);1H.
What are the key properties of N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride?
N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 407.97 g/mol, XLogP of 4.06, 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-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119591586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).