3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

C15H18N4O3S2 — CID 32624601

IUPAC3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)s1
InChIInChI=1S/C15H18N4O3S2/c1-9(2)14-17-18-15(23-14)16-13(20)10-4-3-5-12(8-10)24(21,22)19-11-6-7-11/h3-5,8-9,11,19H,6-7H2,1-2H3,(H,16,18,20)
InChIKeyLQDRYUBWFMTPJC-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.35
Rot. Bonds6

About 3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 32624601) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID32624601
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC Name3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)s1
InChIInChI=1S/C15H18N4O3S2/c1-9(2)14-17-18-15(23-14)16-13(20)10-4-3-5-12(8-10)24(21,22)19-11-6-7-11/h3-5,8-9,11,19H,6-7H2,1-2H3,(H,16,18,20)
InChIKeyLQDRYUBWFMTPJC-UHFFFAOYSA-N
XLogP2.35
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 25493625
methyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18287628
3-(azepan-1-ylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 24506376
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607
ethyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 18227741
3-(cyclopropylsulfamoyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 33039939
3-(cyclopentylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 166188646
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
3-(methylsulfonylmethyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 43033712
3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623875
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17410337
3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667861

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 32624601) is 3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is CC(C)c1nnc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)s1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is LQDRYUBWFMTPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-9(2)14-17-18-15(23-14)16-13(20)10-4-3-5-12(8-10)24(21,22)19-11-6-7-11/h3-5,8-9,11,19H,6-7H2,1-2H3,(H,16,18,20).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 366.47 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 32624601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).