3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

C18H18N4O3S2 — CID 4250604

IUPAC3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCc1cccc(-c2nnc(NC(=O)CCNS(=O)(=O)c3ccccc3)s2)c1
InChIInChI=1S/C18H18N4O3S2/c1-13-6-5-7-14(12-13)17-21-22-18(26-17)20-16(23)10-11-19-27(24,25)15-8-3-2-4-9-15/h2-9,12,19H,10-11H2,1H3,(H,20,22,23)
InChIKeyKLFWLIUGUVPADN-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.82
Rot. Bonds7

About 3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 4250604) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID4250604
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC Name3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCc1cccc(-c2nnc(NC(=O)CCNS(=O)(=O)c3ccccc3)s2)c1
InChIInChI=1S/C18H18N4O3S2/c1-13-6-5-7-14(12-13)17-21-22-18(26-17)20-16(23)10-11-19-27(24,25)15-8-3-2-4-9-15/h2-9,12,19H,10-11H2,1H3,(H,20,22,23)
InChIKeyKLFWLIUGUVPADN-UHFFFAOYSA-N
XLogP2.82
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-(naphthalen-1-ylsulfonylamino)propanamide
CID 5068398
N-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide
CID 3471937
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 55436363
3-(benzenesulfonamido)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 17225954
3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17225962
3-(2,4-dimethylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24649218
3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 56503578
3-(benzenesulfonamido)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 17225930
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 31264739
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813917
3-[butylcarbamoyl(2-phenylethyl)amino]-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 42737344

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 4250604) is 3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide is Cc1cccc(-c2nnc(NC(=O)CCNS(=O)(=O)c3ccccc3)s2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is KLFWLIUGUVPADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-13-6-5-7-14(12-13)17-21-22-18(26-17)20-16(23)10-11-19-27(24,25)15-8-3-2-4-9-15/h2-9,12,19H,10-11H2,1H3,(H,20,22,23).
What are the key properties of 3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 402.50 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 4250604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).