5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide

C21H22N4O3S2 — CID 86933140

IUPAC5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC(C)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C21H22N4O3S2/c1-13-5-8-17(30(27,28)25-16-6-7-16)10-18(13)20(26)23-14(2)21-24-19(12-29-21)15-4-3-9-22-11-15/h3-5,8-12,14,16,25H,6-7H2,1-2H3,(H,23,26)
InChIKeyQCNJZAHDOFKWIG-UHFFFAOYSA-N
MW442.57 g/mol
LogP3.45
Rot. Bonds7

About 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide

5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 86933140) has the molecular formula C21H22N4O3S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID86933140
Molecular FormulaC21H22N4O3S2
Molecular Weight442.57 g/mol
Exact Mass442.11
IUPAC Name5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC(C)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C21H22N4O3S2/c1-13-5-8-17(30(27,28)25-16-6-7-16)10-18(13)20(26)23-14(2)21-24-19(12-29-21)15-4-3-9-22-11-15/h3-5,8-12,14,16,25H,6-7H2,1-2H3,(H,23,26)
InChIKeyQCNJZAHDOFKWIG-UHFFFAOYSA-N
XLogP3.45
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 55488992
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 55490059
5-(cyclopropylsulfamoyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 35804827
N-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide
CID 118470908
5-(cyclopropylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-2-methylbenzamide
CID 18131994
3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide
CID 103599320
4-(3-cyanopropylsulfonyl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 86935986
3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 110446641
N-(1-amino-4-methylpentan-2-yl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119586889
N-[cyclopropyl(phenyl)methyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 42890157
5-(cyclopropylsulfamoyl)-2-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 46679817

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide (CID 86933140) is 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC(C)c1nc(-c2cccnc2)cs1.
What is the InChIKey of 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is QCNJZAHDOFKWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S2/c1-13-5-8-17(30(27,28)25-16-6-7-16)10-18(13)20(26)23-14(2)21-24-19(12-29-21)15-4-3-9-22-11-15/h3-5,8-12,14,16,25H,6-7H2,1-2H3,(H,23,26).
What are the key properties of 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide?
5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 442.57 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 86933140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).