N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide

C14H17N3O3S2 — CID 30732694

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide
SMILESCC(C)Cc1nnc(NC(=O)c2ccccc2S(C)(=O)=O)s1
InChIInChI=1S/C14H17N3O3S2/c1-9(2)8-12-16-17-14(21-12)15-13(18)10-6-4-5-7-11(10)22(3,19)20/h4-7,9H,8H2,1-3H3,(H,15,17,18)
InChIKeyMRMNFTNIHAMBNI-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.39
Rot. Bonds5

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide (PubChem CID 30732694) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide
PubChem CID30732694
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide
SMILESCC(C)Cc1nnc(NC(=O)c2ccccc2S(C)(=O)=O)s1
InChIInChI=1S/C14H17N3O3S2/c1-9(2)8-12-16-17-14(21-12)15-13(18)10-6-4-5-7-11(10)22(3,19)20/h4-7,9H,8H2,1-3H3,(H,15,17,18)
InChIKeyMRMNFTNIHAMBNI-UHFFFAOYSA-N
XLogP2.39
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103871250
2,3-dihydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 104931749
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-methylsulfonylbenzamide
CID 31289416
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 42562478
2,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 24647679
2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17257226
4-fluoro-2-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103829678
2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 102709910
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide
CID 17224943
5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 113233248
2-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-oxoisoquinoline-4-carboxamide
CID 56762472
2-chloro-N-[3-methyl-1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide
CID 51148569

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide (CID 30732694) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide is CC(C)Cc1nnc(NC(=O)c2ccccc2S(C)(=O)=O)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide?
The InChIKey is MRMNFTNIHAMBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-9(2)8-12-16-17-14(21-12)15-13(18)10-6-4-5-7-11(10)22(3,19)20/h4-7,9H,8H2,1-3H3,(H,15,17,18).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 30732694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).