N-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide

C18H24N4O4S2 — CID 56540115

IUPACN-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)CS(=O)(=O)NC3CCC(C)CC3)cc2s1
InChIInChI=1S/C18H24N4O4S2/c1-11-3-5-13(6-4-11)22-28(25,26)10-17(24)20-14-7-8-15-16(9-14)27-18(21-15)19-12(2)23/h7-9,11,13,22H,3-6,10H2,1-2H3,(H,20,24)(H,19,21,23)
InChIKeyPYHXXLKAWPHUES-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.69
Rot. Bonds6

About N-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide

N-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide (PubChem CID 56540115) has the molecular formula C18H24N4O4S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide
PubChem CID56540115
Molecular FormulaC18H24N4O4S2
Molecular Weight424.55 g/mol
Exact Mass424.12
IUPAC NameN-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)CS(=O)(=O)NC3CCC(C)CC3)cc2s1
InChIInChI=1S/C18H24N4O4S2/c1-11-3-5-13(6-4-11)22-28(25,26)10-17(24)20-14-7-8-15-16(9-14)27-18(21-15)19-12(2)23/h7-9,11,13,22H,3-6,10H2,1-2H3,(H,20,24)(H,19,21,23)
InChIKeyPYHXXLKAWPHUES-UHFFFAOYSA-N
XLogP2.69
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide
CID 46290973
2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid
CID 122109939
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 7254203
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(1-adamantyl)acetamide
CID 3981360
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168521756
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide
CID 55769442
N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-2-(1-adamantyl)acetamide
CID 4203560
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 46289672
N-[6-[(2-chloroacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 141458638
N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 119277660

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide (CID 56540115) is N-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide is CC(=O)Nc1nc2ccc(NC(=O)CS(=O)(=O)NC3CCC(C)CC3)cc2s1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide?
The InChIKey is PYHXXLKAWPHUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S2/c1-11-3-5-13(6-4-11)22-28(25,26)10-17(24)20-14-7-8-15-16(9-14)27-18(21-15)19-12(2)23/h7-9,11,13,22H,3-6,10H2,1-2H3,(H,20,24)(H,19,21,23).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide?
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide has a molecular weight of 424.55 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide is sourced from PubChem (CID 56540115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).