3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide

C15H23N3O3S — CID 119711119

IUPAC3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C15H23N3O3S/c1-2-22(20,21)18-14-8-6-13(7-9-14)17-15(19)11-4-3-5-12(16)10-11/h6-9,11-12,18H,2-5,10,16H2,1H3,(H,17,19)
InChIKeyJRMGIPHYEKMHSV-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.90
Rot. Bonds5

About 3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide

3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide (PubChem CID 119711119) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide
PubChem CID119711119
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C15H23N3O3S/c1-2-22(20,21)18-14-8-6-13(7-9-14)17-15(19)11-4-3-5-12(16)10-11/h6-9,11-12,18H,2-5,10,16H2,1H3,(H,17,19)
InChIKeyJRMGIPHYEKMHSV-UHFFFAOYSA-N
XLogP1.90
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119800489
3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 63044303
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 63042501
3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide
CID 119800485
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119800484
3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 119769506
3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 63045073
3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119769505

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide (CID 119711119) is 3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)C2CCCC(N)C2)cc1.
What is the InChIKey of 3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide?
The InChIKey is JRMGIPHYEKMHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-22(20,21)18-14-8-6-13(7-9-14)17-15(19)11-4-3-5-12(16)10-11/h6-9,11-12,18H,2-5,10,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119711119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).