N-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride

C18H22ClN3O2S — CID 119759063

IUPACN-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1
InChIInChI=1S/C18H21N3O2S.ClH/c19-13-4-1-3-12(11-13)17(22)20-14-6-8-15(9-7-14)21-18(23)16-5-2-10-24-16;/h2,5-10,12-13H,1,3-4,11,19H2,(H,20,22)(H,21,23);1H
InChIKeyIEQBQAMERODREF-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.88
Rot. Bonds4

About N-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride

N-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119759063) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is N-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119759063
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC NameN-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1
InChIInChI=1S/C18H21N3O2S.ClH/c19-13-4-1-3-12(11-13)17(22)20-14-6-8-15(9-7-14)21-18(23)16-5-2-10-24-16;/h2,5-10,12-13H,1,3-4,11,19H2,(H,20,22)(H,21,23);1H
InChIKeyIEQBQAMERODREF-UHFFFAOYSA-N
XLogP3.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide
CID 31518537
N-[3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120984691
4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119698530
3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 63044303
3-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
CID 63044488
N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride
CID 119709587
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119711119
3-amino-N-[4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723414
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
CID 63045402

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride (CID 119759063) is N-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1.
What is the InChIKey of N-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is IEQBQAMERODREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S.ClH/c19-13-4-1-3-12(11-13)17(22)20-14-6-8-15(9-7-14)21-18(23)16-5-2-10-24-16;/h2,5-10,12-13H,1,3-4,11,19H2,(H,20,22)(H,21,23);1H.
What are the key properties of N-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride?
N-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 379.91 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119759063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).