N-cyclohexyl-4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide

C27H34N4O4S2 — CID 43981690

IUPACN-cyclohexyl-4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCCOc1ccc2nc(N3CCN(C(=O)c4ccc(S(=O)(=O)N(C)C5CCCCC5)cc4)CC3)sc2c1
InChIInChI=1S/C27H34N4O4S2/c1-3-35-22-11-14-24-25(19-22)36-27(28-24)31-17-15-30(16-18-31)26(32)20-9-12-23(13-10-20)37(33,34)29(2)21-7-5-4-6-8-21/h9-14,19,21H,3-8,15-18H2,1-2H3
InChIKeyNKWOCUUHSNUIOR-UHFFFAOYSA-N
MW542.73 g/mol
LogP4.61
Rot. Bonds7

About N-cyclohexyl-4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide

N-cyclohexyl-4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide (PubChem CID 43981690) has the molecular formula C27H34N4O4S2 and a molecular weight of 542.73 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
PubChem CID43981690
Molecular FormulaC27H34N4O4S2
Molecular Weight542.73 g/mol
Exact Mass542.20
IUPAC NameN-cyclohexyl-4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCCOc1ccc2nc(N3CCN(C(=O)c4ccc(S(=O)(=O)N(C)C5CCCCC5)cc4)CC3)sc2c1
InChIInChI=1S/C27H34N4O4S2/c1-3-35-22-11-14-24-25(19-22)36-27(28-24)31-17-15-30(16-18-31)26(32)20-9-12-23(13-10-20)37(33,34)29(2)21-7-5-4-6-8-21/h9-14,19,21H,3-8,15-18H2,1-2H3
InChIKeyNKWOCUUHSNUIOR-UHFFFAOYSA-N
XLogP4.61
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.73
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide 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

4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 41115169
4-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43947336
[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 7292571
N-cyclohexyl-4-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 43981887
4-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 41115037
4-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 41115150
4-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43981662
4-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 41115270
[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 7292567
[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 6625002
[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 26843236
N-butyl-4-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 41115349

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide (CID 43981690) is N-cyclohexyl-4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide is CCOc1ccc2nc(N3CCN(C(=O)c4ccc(S(=O)(=O)N(C)C5CCCCC5)cc4)CC3)sc2c1.
What is the InChIKey of N-cyclohexyl-4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide?
The InChIKey is NKWOCUUHSNUIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4S2/c1-3-35-22-11-14-24-25(19-22)36-27(28-24)31-17-15-30(16-18-31)26(32)20-9-12-23(13-10-20)37(33,34)29(2)21-7-5-4-6-8-21/h9-14,19,21H,3-8,15-18H2,1-2H3.
What are the key properties of N-cyclohexyl-4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide?
N-cyclohexyl-4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide has a molecular weight of 542.73 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 43981690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).