N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

C18H17ClN4O3S2 — CID 133201572

IUPACN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCN(C(C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H17ClN4O3S2/c1-23(28(2,25)26)15(12-6-4-3-5-7-12)16(24)20-18-22-21-17(27-18)13-8-10-14(19)11-9-13/h3-11,15H,1-2H3,(H,20,22,24)
InChIKeyGPMPAYDEJFNMDP-UHFFFAOYSA-N
MW436.95 g/mol
LogP3.43
Rot. Bonds6

About N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (PubChem CID 133201572) has the molecular formula C18H17ClN4O3S2 and a molecular weight of 436.95 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
PubChem CID133201572
Molecular FormulaC18H17ClN4O3S2
Molecular Weight436.95 g/mol
Exact Mass436.04
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCN(C(C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H17ClN4O3S2/c1-23(28(2,25)26)15(12-6-4-3-5-7-12)16(24)20-18-22-21-17(27-18)13-8-10-14(19)11-9-13/h3-11,15H,1-2H3,(H,20,22,24)
InChIKeyGPMPAYDEJFNMDP-UHFFFAOYSA-N
XLogP3.43
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(N-methylsulfonylanilino)propanamide
CID 133178514
(2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125060901
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(N-methylsulfonylanilino)butanamide
CID 133229006
N-(5-chloro-2-methylphenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133228030
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 133161669
N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133160999
2-(diethylamino)-2-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56553192
(2R)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 125052050
2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100672451
(2S)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 100750819
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(dimethylcarbamoylamino)-3-phenylpropanamide
CID 42662179
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 42662158

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (CID 133201572) is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is CN(C(C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The InChIKey is GPMPAYDEJFNMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S2/c1-23(28(2,25)26)15(12-6-4-3-5-7-12)16(24)20-18-22-21-17(27-18)13-8-10-14(19)11-9-13/h3-11,15H,1-2H3,(H,20,22,24).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide has a molecular weight of 436.95 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is sourced from PubChem (CID 133201572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).