3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide

C20H21NO4S2 — CID 90583258

IUPAC3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)N(CCc1cccs1)Cc1ccoc1
InChIInChI=1S/C20H21NO4S2/c22-20(10-14-27(23,24)19-6-2-1-3-7-19)21(15-17-9-12-25-16-17)11-8-18-5-4-13-26-18/h1-7,9,12-13,16H,8,10-11,14-15H2
InChIKeyBSEKEPHZVYOUKI-UHFFFAOYSA-N
MW403.52 g/mol
LogP3.78
Rot. Bonds9

About 3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide

3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 90583258) has the molecular formula C20H21NO4S2 and a molecular weight of 403.52 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID90583258
Molecular FormulaC20H21NO4S2
Molecular Weight403.52 g/mol
Exact Mass403.09
IUPAC Name3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)N(CCc1cccs1)Cc1ccoc1
InChIInChI=1S/C20H21NO4S2/c22-20(10-14-27(23,24)19-6-2-1-3-7-19)21(15-17-9-12-25-16-17)11-8-18-5-4-13-26-18/h1-7,9,12-13,16H,8,10-11,14-15H2
InChIKeyBSEKEPHZVYOUKI-UHFFFAOYSA-N
XLogP3.78
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-3-ylmethyl)-2-phenoxy-N-(2-thiophen-2-ylethyl)propanamide
CID 71804174
N-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 90583280
1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea
CID 90583109
N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 71804056
1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583385
2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 71804179
3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583396
N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90583211
2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 71804069
methyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate
CID 72717975
1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea
CID 90583403
2-ethoxy-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90583331

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide (CID 90583258) is 3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)N(CCc1cccs1)Cc1ccoc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is BSEKEPHZVYOUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S2/c22-20(10-14-27(23,24)19-6-2-1-3-7-19)21(15-17-9-12-25-16-17)11-8-18-5-4-13-26-18/h1-7,9,12-13,16H,8,10-11,14-15H2.
What are the key properties of 3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide?
3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 403.52 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 90583258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).