N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide

C18H24N4O3S2 — CID 166926102

IUPACN-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide
SMILESCc1cc(S(=O)(=O)N[C@H](C)C2CCNCC2)ccc1NC(=O)c1nccs1
InChIInChI=1S/C18H24N4O3S2/c1-12-11-15(3-4-16(12)21-17(23)18-20-9-10-26-18)27(24,25)22-13(2)14-5-7-19-8-6-14/h3-4,9-11,13-14,19,22H,5-8H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyYDAPRXXAYZRVHA-CYBMUJFWSA-N
MW408.55 g/mol
LogP2.37
Rot. Bonds6

About N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide

N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 166926102) has the molecular formula C18H24N4O3S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide
PubChem CID166926102
Molecular FormulaC18H24N4O3S2
Molecular Weight408.55 g/mol
Exact Mass408.13
IUPAC NameN-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide
SMILESCc1cc(S(=O)(=O)N[C@H](C)C2CCNCC2)ccc1NC(=O)c1nccs1
InChIInChI=1S/C18H24N4O3S2/c1-12-11-15(3-4-16(12)21-17(23)18-20-9-10-26-18)27(24,25)22-13(2)14-5-7-19-8-6-14/h3-4,9-11,13-14,19,22H,5-8H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyYDAPRXXAYZRVHA-CYBMUJFWSA-N
XLogP2.37
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide
CID 167339788
N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 167339751
N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]cyclohexanecarboxamide
CID 166926104
4-fluoro-2-methyl-N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]benzamide;hydrochloride
CID 167339835
N-[2-chloro-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-2-methylbenzamide
CID 167339748
2-methyl-N-[4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]-2-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 167339972
N-[4-[[(1R)-1-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]sulfamoyl]-2-methylphenyl]-2-methylbenzamide
CID 167339725
2-methyl-N-[2-methyl-4-[1-(oxan-4-yl)ethylsulfamoyl]phenyl]benzamide
CID 166925879
N-[2,3-dichloro-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-2-methylbenzamide
CID 167339679
methyl 2-[[3-methyl-4-[(2-methylbenzoyl)amino]phenyl]sulfonylamino]-2-piperidin-4-ylacetate
CID 166925882
2-fluoro-6-methyl-N-[2-methyl-4-[1-(1-methylpiperidin-4-yl)ethylsulfamoyl]phenyl]benzamide
CID 175418860
methyl 2-[[3-methyl-4-[(2-methylbenzoyl)amino]phenyl]sulfonylamino]-2-piperidin-4-ylacetate;hydrochloride
CID 168763736

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide (CID 166926102) is N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide is Cc1cc(S(=O)(=O)N[C@H](C)C2CCNCC2)ccc1NC(=O)c1nccs1.
What is the InChIKey of N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is YDAPRXXAYZRVHA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4O3S2/c1-12-11-15(3-4-16(12)21-17(23)18-20-9-10-26-18)27(24,25)22-13(2)14-5-7-19-8-6-14/h3-4,9-11,13-14,19,22H,5-8H2,1-2H3,(H,21,23)/t13-/m1/s1.
What are the key properties of N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide?
N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[[(1R)-1-piperidin-4-ylethyl]sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 166926102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).