N-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide

C18H21N3O4S — CID 9224560

IUPACN-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESCCNC(=O)CNC(=O)c1ccccc1SCC(=O)NCc1ccco1
InChIInChI=1S/C18H21N3O4S/c1-2-19-16(22)11-21-18(24)14-7-3-4-8-15(14)26-12-17(23)20-10-13-6-5-9-25-13/h3-9H,2,10-12H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyFBACYIPDCBMQFH-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.55
Rot. Bonds9

About N-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide

N-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide (PubChem CID 9224560) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
PubChem CID9224560
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESCCNC(=O)CNC(=O)c1ccccc1SCC(=O)NCc1ccco1
InChIInChI=1S/C18H21N3O4S/c1-2-19-16(22)11-21-18(24)14-7-3-4-8-15(14)26-12-17(23)20-10-13-6-5-9-25-13/h3-9H,2,10-12H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyFBACYIPDCBMQFH-UHFFFAOYSA-N
XLogP1.55
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 9165300
2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 17441492
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate
CID 8555349
N-[4-(cyanomethyl)phenyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 9260214
2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide
CID 8024111
2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-(3-nitrophenyl)benzamide
CID 9411068
2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080896
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate
CID 8555280
2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 43302465
2-anilino-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 29238758
2,3-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 18118972
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate
CID 7638445

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide (CID 9224560) is N-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide is CCNC(=O)CNC(=O)c1ccccc1SCC(=O)NCc1ccco1.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide?
The InChIKey is FBACYIPDCBMQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-2-19-16(22)11-21-18(24)14-7-3-4-8-15(14)26-12-17(23)20-10-13-6-5-9-25-13/h3-9H,2,10-12H2,1H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide?
N-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 375.45 g/mol, XLogP of 1.55, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 9224560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).