3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride

C20H25ClN2O4S — CID 119769505

IUPAC3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(Oc2ccc(NC(=O)C3CCCC(N)C3)cc2)cc1.Cl
InChIInChI=1S/C20H24N2O4S.ClH/c1-27(24,25)19-11-9-18(10-12-19)26-17-7-5-16(6-8-17)22-20(23)14-3-2-4-15(21)13-14;/h5-12,14-15H,2-4,13,21H2,1H3,(H,22,23);1H
InChIKeyAELVVBMMWUHIET-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.76
Rot. Bonds5

About 3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119769505) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119769505
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(Oc2ccc(NC(=O)C3CCCC(N)C3)cc2)cc1.Cl
InChIInChI=1S/C20H24N2O4S.ClH/c1-27(24,25)19-11-9-18(10-12-19)26-17-7-5-16(6-8-17)22-20(23)14-3-2-4-15(21)13-14;/h5-12,14-15H,2-4,13,21H2,1H3,(H,22,23);1H
InChIKeyAELVVBMMWUHIET-UHFFFAOYSA-N
XLogP3.76
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 119769506
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 63042501
cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 154915202
3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 63044303
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide
CID 119779626
3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119711119
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723414
3-amino-N-[4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119676533
3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide
CID 119779656
3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 63045073

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119769505) is 3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride is CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)C3CCCC(N)C3)cc2)cc1.Cl.
What is the InChIKey of 3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is AELVVBMMWUHIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S.ClH/c1-27(24,25)19-11-9-18(10-12-19)26-17-7-5-16(6-8-17)22-20(23)14-3-2-4-15(21)13-14;/h5-12,14-15H,2-4,13,21H2,1H3,(H,22,23);1H.
What are the key properties of 3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 424.95 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119769505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).