2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide

C18H23N3O3S2 — CID 11223125

IUPAC2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)NCC1CCCCC1
InChIInChI=1S/C18H23N3O3S2/c22-17(19-12-14-7-3-1-4-8-14)11-15-13-25-18(20-15)21-26(23,24)16-9-5-2-6-10-16/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,19,22)(H,20,21)
InChIKeyJMBAHDKUIHPACC-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.18
Rot. Bonds7

About 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide

2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide (PubChem CID 11223125) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
PubChem CID11223125
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)NCC1CCCCC1
InChIInChI=1S/C18H23N3O3S2/c22-17(19-12-14-7-3-1-4-8-14)11-15-13-25-18(20-15)21-26(23,24)16-9-5-2-6-10-16/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,19,22)(H,20,21)
InChIKeyJMBAHDKUIHPACC-UHFFFAOYSA-N
XLogP3.18
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 16827164
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 108789115
ethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 108802089
11-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]undecanoic acid
CID 108789111
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108810942
2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]butanedioic acid
CID 108789088
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 20930030
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide
CID 41231527
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide
CID 41231504
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 108802061
2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 18571918

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide (CID 11223125) is 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide is O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)NCC1CCCCC1.
What is the InChIKey of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide?
The InChIKey is JMBAHDKUIHPACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c22-17(19-12-14-7-3-1-4-8-14)11-15-13-25-18(20-15)21-26(23,24)16-9-5-2-6-10-16/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,19,22)(H,20,21).
What are the key properties of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide?
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 11223125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).