N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide

C20H19N3O3S2 — CID 78877366

IUPACN-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C20H19N3O3S2/c24-19(18-13-21-20(27-18)15-4-2-1-3-5-15)23-16-8-10-17(11-9-16)28(25,26)22-12-14-6-7-14/h1-5,8-11,13-14,22H,6-7,12H2,(H,23,24)
InChIKeyMFMKDUIRSDMEML-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.75
Rot. Bonds7

About N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 78877366) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID78877366
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC NameN-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C20H19N3O3S2/c24-19(18-13-21-20(27-18)15-4-2-1-3-5-15)23-16-8-10-17(11-9-16)28(25,26)22-12-14-6-7-14/h1-5,8-11,13-14,22H,6-7,12H2,(H,23,24)
InChIKeyMFMKDUIRSDMEML-UHFFFAOYSA-N
XLogP3.75
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
CID 69029468
N-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991209
(2S)-2-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119287752
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 78877116
N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37005243
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 78877447
4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide
CID 11327244
(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide
CID 167949883
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 37004365
N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
CID 3444645
N-(2-ethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 86997626
2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 119351789

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 78877366) is N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is MFMKDUIRSDMEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c24-19(18-13-21-20(27-18)15-4-2-1-3-5-15)23-16-8-10-17(11-9-16)28(25,26)22-12-14-6-7-14/h1-5,8-11,13-14,22H,6-7,12H2,(H,23,24).
What are the key properties of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78877366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).