N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride

C18H24ClN3O3S — CID 119590926

IUPACN-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccsc1NC(=O)c1ccco1)C1CCCCC1
InChIInChI=1S/C18H23N3O3S.ClH/c19-11-14(12-5-2-1-3-6-12)20-16(22)13-8-10-25-18(13)21-17(23)15-7-4-9-24-15;/h4,7-10,12,14H,1-3,5-6,11,19H2,(H,20,22)(H,21,23);1H
InChIKeyDFUVUYWFIPRFJS-UHFFFAOYSA-N
MW397.93 g/mol
LogP3.65
Rot. Bonds6

About N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride

N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride (PubChem CID 119590926) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
PubChem CID119590926
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC NameN-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccsc1NC(=O)c1ccco1)C1CCCCC1
InChIInChI=1S/C18H23N3O3S.ClH/c19-11-14(12-5-2-1-3-6-12)20-16(22)13-8-10-25-18(13)21-17(23)15-7-4-9-24-15;/h4,7-10,12,14H,1-3,5-6,11,19H2,(H,20,22)(H,21,23);1H
InChIKeyDFUVUYWFIPRFJS-UHFFFAOYSA-N
XLogP3.65
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119589410
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CID 119591706
N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119628741
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119485706
N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride
CID 119615790
(2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363906
N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119457842
N-[3-(piperidin-3-ylmethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119462737
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
N-(2-amino-1-cyclohexylethyl)-3-(difluoromethyl)thiophene-2-carboxamide
CID 154578192

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride (CID 119590926) is N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride is Cl.NCC(NC(=O)c1ccsc1NC(=O)c1ccco1)C1CCCCC1.
What is the InChIKey of N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride?
The InChIKey is DFUVUYWFIPRFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S.ClH/c19-11-14(12-5-2-1-3-6-12)20-16(22)13-8-10-25-18(13)21-17(23)15-7-4-9-24-15;/h4,7-10,12,14H,1-3,5-6,11,19H2,(H,20,22)(H,21,23);1H.
What are the key properties of N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride?
N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride has a molecular weight of 397.93 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119590926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).