N-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(4-hydroxycyclohexyl)-6-oxocyclohexa-1,3-dien-1-yl]ethanesulfonamide

C21H28N2O5S — CID 129186354

IUPACN-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(4-hydroxycyclohexyl)-6-oxocyclohexa-1,3-dien-1-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1=CC=C(C2CCC(O)CC2)C(c2cc(C)c(=O)n(C)c2)C1=O
InChIInChI=1S/C21H28N2O5S/c1-4-29(27,28)22-18-10-9-17(14-5-7-16(24)8-6-14)19(20(18)25)15-11-13(2)21(26)23(3)12-15/h9-12,14,16,19,22,24H,4-8H2,1-3H3
InChIKeyXDHTYKQILHBJJY-UHFFFAOYSA-N
MW420.53 g/mol
LogP1.66
Rot. Bonds5

About N-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(4-hydroxycyclohexyl)-6-oxocyclohexa-1,3-dien-1-yl]ethanesulfonamide

N-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(4-hydroxycyclohexyl)-6-oxocyclohexa-1,3-dien-1-yl]ethanesulfonamide (PubChem CID 129186354) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(4-hydroxycyclohexyl)-6-oxocyclohexa-1,3-dien-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(4-hydroxycyclohexyl)-6-oxocyclohexa-1,3-dien-1-yl]ethanesulfonamide
PubChem CID129186354
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(4-hydroxycyclohexyl)-6-oxocyclohexa-1,3-dien-1-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1=CC=C(C2CCC(O)CC2)C(c2cc(C)c(=O)n(C)c2)C1=O
InChIInChI=1S/C21H28N2O5S/c1-4-29(27,28)22-18-10-9-17(14-5-7-16(24)8-6-14)19(20(18)25)15-11-13(2)21(26)23(3)12-15/h9-12,14,16,19,22,24H,4-8H2,1-3H3
InChIKeyXDHTYKQILHBJJY-UHFFFAOYSA-N
XLogP1.66
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(4-hydroxycyclohexyl)-6-oxocyclohexa-1,3-dien-1-yl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide
CID 122623685
5-amino-1,3-dimethylpyridin-2-one
CID 67456616
5-[2-cyclopropyl-5-(ethylsulfonylmethyl)-1-benzofuran-7-yl]-1,3-dimethylpyridin-2-one
CID 147410233
5-[3-(cyclopropylmethyl)-7-ethylsulfonyl-2-methylbenzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 122623748
5-[2-cyclopropyl-6-(ethylsulfonylmethyl)-1-methylbenzimidazol-4-yl]-1,3-dimethylpyridin-2-one
CID 147751988
5-(aminomethyl)-1,3-dimethylpyridin-2-one
CID 71531830
(2S)-2-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(oxan-2-ylmethyl)-1,2-dihydrobenzimidazol-5-yl]methylamino]-3-hydroxybutanoic acid
CID 138642508
ethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate
CID 64593291
4-cyclopropyl-N-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-phenyl-1,2-thiazole-5-carboxamide
CID 171095871
5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one
CID 122549756
4-[(4-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106126603
N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methylindazol-4-yl]methanesulfonamide
CID 122633945

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(4-hydroxycyclohexyl)-6-oxocyclohexa-1,3-dien-1-yl]ethanesulfonamide?
The IUPAC name of N-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(4-hydroxycyclohexyl)-6-oxocyclohexa-1,3-dien-1-yl]ethanesulfonamide (CID 129186354) is N-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(4-hydroxycyclohexyl)-6-oxocyclohexa-1,3-dien-1-yl]ethanesulfonamide.
What is the SMILES notation for N-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(4-hydroxycyclohexyl)-6-oxocyclohexa-1,3-dien-1-yl]ethanesulfonamide?
The canonical SMILES for N-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(4-hydroxycyclohexyl)-6-oxocyclohexa-1,3-dien-1-yl]ethanesulfonamide is CCS(=O)(=O)NC1=CC=C(C2CCC(O)CC2)C(c2cc(C)c(=O)n(C)c2)C1=O.
What is the InChIKey of N-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(4-hydroxycyclohexyl)-6-oxocyclohexa-1,3-dien-1-yl]ethanesulfonamide?
The InChIKey is XDHTYKQILHBJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-4-29(27,28)22-18-10-9-17(14-5-7-16(24)8-6-14)19(20(18)25)15-11-13(2)21(26)23(3)12-15/h9-12,14,16,19,22,24H,4-8H2,1-3H3.
What are the key properties of N-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(4-hydroxycyclohexyl)-6-oxocyclohexa-1,3-dien-1-yl]ethanesulfonamide?
N-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(4-hydroxycyclohexyl)-6-oxocyclohexa-1,3-dien-1-yl]ethanesulfonamide has a molecular weight of 420.53 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(4-hydroxycyclohexyl)-6-oxocyclohexa-1,3-dien-1-yl]ethanesulfonamide is sourced from PubChem (CID 129186354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).