N-[2-[(1-amino-4-pyridin-4-yl-1,3-thiazol-1-yl)methyl]cyclohexyl]-2-methoxy-5-methylbenzenesulfonamide

C23H30N4O3S2 — CID 142764217

IUPACN-[2-[(1-amino-4-pyridin-4-yl-1,3-thiazol-1-yl)methyl]cyclohexyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1CCCCC1CS1(N)C=NC(c2ccncc2)=C1
InChIInChI=1S/C23H30N4O3S2/c1-17-7-8-22(30-2)23(13-17)32(28,29)27-20-6-4-3-5-19(20)14-31(24)15-21(26-16-31)18-9-11-25-12-10-18/h7-13,15-16,19-20,27H,3-6,14,24H2,1-2H3
InChIKeyIDWOXTLJKSZWFZ-UHFFFAOYSA-N
MW474.65 g/mol
LogP3.95
Rot. Bonds7

About N-[2-[(1-amino-4-pyridin-4-yl-1,3-thiazol-1-yl)methyl]cyclohexyl]-2-methoxy-5-methylbenzenesulfonamide

N-[2-[(1-amino-4-pyridin-4-yl-1,3-thiazol-1-yl)methyl]cyclohexyl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 142764217) has the molecular formula C23H30N4O3S2 and a molecular weight of 474.65 g/mol. Its IUPAC name is N-[2-[(1-amino-4-pyridin-4-yl-1,3-thiazol-1-yl)methyl]cyclohexyl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(1-amino-4-pyridin-4-yl-1,3-thiazol-1-yl)methyl]cyclohexyl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID142764217
Molecular FormulaC23H30N4O3S2
Molecular Weight474.65 g/mol
Exact Mass474.18
IUPAC NameN-[2-[(1-amino-4-pyridin-4-yl-1,3-thiazol-1-yl)methyl]cyclohexyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1CCCCC1CS1(N)C=NC(c2ccncc2)=C1
InChIInChI=1S/C23H30N4O3S2/c1-17-7-8-22(30-2)23(13-17)32(28,29)27-20-6-4-3-5-19(20)14-31(24)15-21(26-16-31)18-9-11-25-12-10-18/h7-13,15-16,19-20,27H,3-6,14,24H2,1-2H3
InChIKeyIDWOXTLJKSZWFZ-UHFFFAOYSA-N
XLogP3.95
TPSA106.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 63252483
N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119986461
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
N-[2-(aminomethyl)cyclohexyl]-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119986113
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 106737938
N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide
CID 106367713
2-methoxy-5-methylsulfonyl-N-[(2S,3R)-2-pyridin-4-yloxan-3-yl]benzenesulfonamide
CID 154876704
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide
CID 106358830

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-amino-4-pyridin-4-yl-1,3-thiazol-1-yl)methyl]cyclohexyl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[2-[(1-amino-4-pyridin-4-yl-1,3-thiazol-1-yl)methyl]cyclohexyl]-2-methoxy-5-methylbenzenesulfonamide (CID 142764217) is N-[2-[(1-amino-4-pyridin-4-yl-1,3-thiazol-1-yl)methyl]cyclohexyl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(1-amino-4-pyridin-4-yl-1,3-thiazol-1-yl)methyl]cyclohexyl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[(1-amino-4-pyridin-4-yl-1,3-thiazol-1-yl)methyl]cyclohexyl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NC1CCCCC1CS1(N)C=NC(c2ccncc2)=C1.
What is the InChIKey of N-[2-[(1-amino-4-pyridin-4-yl-1,3-thiazol-1-yl)methyl]cyclohexyl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is IDWOXTLJKSZWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S2/c1-17-7-8-22(30-2)23(13-17)32(28,29)27-20-6-4-3-5-19(20)14-31(24)15-21(26-16-31)18-9-11-25-12-10-18/h7-13,15-16,19-20,27H,3-6,14,24H2,1-2H3.
What are the key properties of N-[2-[(1-amino-4-pyridin-4-yl-1,3-thiazol-1-yl)methyl]cyclohexyl]-2-methoxy-5-methylbenzenesulfonamide?
N-[2-[(1-amino-4-pyridin-4-yl-1,3-thiazol-1-yl)methyl]cyclohexyl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 474.65 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-amino-4-pyridin-4-yl-1,3-thiazol-1-yl)methyl]cyclohexyl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 142764217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).