N-(4-ethylphenyl)-2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]sulfinylacetamide

C20H26N2O4S — CID 655436

IUPACN-(4-ethylphenyl)-2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]sulfinylacetamide
SMILESCCc1ccc(NC(=O)CS(=O)CC(=O)NC(C)CCc2ccco2)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-16-7-9-17(10-8-16)22-20(24)14-27(25)13-19(23)21-15(2)6-11-18-5-4-12-26-18/h4-5,7-10,12,15H,3,6,11,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDRVPLLZXUGYCFZ-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.67
Rot. Bonds10

About N-(4-ethylphenyl)-2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]sulfinylacetamide

N-(4-ethylphenyl)-2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]sulfinylacetamide (PubChem CID 655436) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]sulfinylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]sulfinylacetamide
PubChem CID655436
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-(4-ethylphenyl)-2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]sulfinylacetamide
SMILESCCc1ccc(NC(=O)CS(=O)CC(=O)NC(C)CCc2ccco2)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-16-7-9-17(10-8-16)22-20(24)14-27(25)13-19(23)21-15(2)6-11-18-5-4-12-26-18/h4-5,7-10,12,15H,3,6,11,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDRVPLLZXUGYCFZ-UHFFFAOYSA-N
XLogP2.67
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-butylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea
CID 9234141
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide
CID 25401477
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
5-amino-N-[4-(furan-2-yl)butan-2-yl]-4-methylpentanamide
CID 82012267
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline
CID 43478896
N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide
CID 61249924
[2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677565
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]sulfinylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]sulfinylacetamide (CID 655436) is N-(4-ethylphenyl)-2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]sulfinylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]sulfinylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]sulfinylacetamide is CCc1ccc(NC(=O)CS(=O)CC(=O)NC(C)CCc2ccco2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]sulfinylacetamide?
The InChIKey is DRVPLLZXUGYCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-3-16-7-9-17(10-8-16)22-20(24)14-27(25)13-19(23)21-15(2)6-11-18-5-4-12-26-18/h4-5,7-10,12,15H,3,6,11,13-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-ethylphenyl)-2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]sulfinylacetamide?
N-(4-ethylphenyl)-2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]sulfinylacetamide has a molecular weight of 390.51 g/mol, XLogP of 2.67, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]sulfinylacetamide is sourced from PubChem (CID 655436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).