3-(benzenesulfonyl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide

C19H19N3O3S2 — CID 17310154

IUPAC3-(benzenesulfonyl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C19H19N3O3S2/c23-17(13-14-27(24,25)16-9-5-2-6-10-16)20-19-22-21-18(26-19)12-11-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,22,23)
InChIKeyMPBMZKZHELIOHO-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.13
Rot. Bonds8

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

3-(benzenesulfonyl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 17310154) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID17310154
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name3-(benzenesulfonyl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C19H19N3O3S2/c23-17(13-14-27(24,25)16-9-5-2-6-10-16)20-19-22-21-18(26-19)12-11-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,22,23)
InChIKeyMPBMZKZHELIOHO-UHFFFAOYSA-N
XLogP3.13
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonamido)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 17225954
N'-hydroxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]hexanediamide
CID 56944798
3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2230030
N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3961443
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 17321419
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide
CID 847079
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 769200
2-phenyl-N-[5-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982401
N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 17320541
3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 5310254
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641
(2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 28732473

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 17310154) is 3-(benzenesulfonyl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(CCc2ccccc2)s1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is MPBMZKZHELIOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c23-17(13-14-27(24,25)16-9-5-2-6-10-16)20-19-22-21-18(26-19)12-11-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,22,23).
What are the key properties of 3-(benzenesulfonyl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
3-(benzenesulfonyl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 401.51 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 17310154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).