N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide

C12H14FN5O3S2 — CID 91838714

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(=O)NCc1nnc(N)s1
InChIInChI=1S/C12H14FN5O3S2/c1-7-4-8(13)2-3-9(7)23(20,21)16-5-10(19)15-6-11-17-18-12(14)22-11/h2-4,16H,5-6H2,1H3,(H2,14,18)(H,15,19)
InChIKeyNPVBSILXAOGBQF-UHFFFAOYSA-N
MW359.41 g/mol
LogP0.16
Rot. Bonds6

About N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide (PubChem CID 91838714) has the molecular formula C12H14FN5O3S2 and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
PubChem CID91838714
Molecular FormulaC12H14FN5O3S2
Molecular Weight359.41 g/mol
Exact Mass359.05
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(=O)NCc1nnc(N)s1
InChIInChI=1S/C12H14FN5O3S2/c1-7-4-8(13)2-3-9(7)23(20,21)16-5-10(19)15-6-11-17-18-12(14)22-11/h2-4,16H,5-6H2,1H3,(H2,14,18)(H,15,19)
InChIKeyNPVBSILXAOGBQF-UHFFFAOYSA-N
XLogP0.16
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992284
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993014
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994823
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 43567163
N-(2-ethyl-6-methylphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 112997050
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112992587
N-(2-ethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 112998830
2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 112992116
N-(2-amino-2-ethylbutyl)-4-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119990013
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 113000466
4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 110719618
3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66174634

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide (CID 91838714) is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide is Cc1cc(F)ccc1S(=O)(=O)NCC(=O)NCc1nnc(N)s1.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide?
The InChIKey is NPVBSILXAOGBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O3S2/c1-7-4-8(13)2-3-9(7)23(20,21)16-5-10(19)15-6-11-17-18-12(14)22-11/h2-4,16H,5-6H2,1H3,(H2,14,18)(H,15,19).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide has a molecular weight of 359.41 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 91838714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).