N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide

C16H18N2O2S2 — CID 9489372

IUPACN-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESCCNC(=O)CNC(=O)c1ccccc1SCc1cccs1
InChIInChI=1S/C16H18N2O2S2/c1-2-17-15(19)10-18-16(20)13-7-3-4-8-14(13)22-11-12-6-5-9-21-12/h3-9H,2,10-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyRZKSGLXYKLDZGZ-UHFFFAOYSA-N
MW334.47 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide

N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide (PubChem CID 9489372) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
PubChem CID9489372
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESCCNC(=O)CNC(=O)c1ccccc1SCc1cccs1
InChIInChI=1S/C16H18N2O2S2/c1-2-17-15(19)10-18-16(20)13-7-3-4-8-14(13)22-11-12-6-5-9-21-12/h3-9H,2,10-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyRZKSGLXYKLDZGZ-UHFFFAOYSA-N
XLogP2.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
CID 119506712
N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 43044656
N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide
CID 9489358
N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9399909
N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18283562
N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 55979886
2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 24533628
N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 24513660
methyl N-[4-[[2-(thiophen-2-ylmethylsulfanyl)benzoyl]amino]phenyl]carbamate
CID 55804766
N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 34732993
N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 55530430
2-benzylsulfanyl-N-ethylbenzamide
CID 894590

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide (CID 9489372) is N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide is CCNC(=O)CNC(=O)c1ccccc1SCc1cccs1.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The InChIKey is RZKSGLXYKLDZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c1-2-17-15(19)10-18-16(20)13-7-3-4-8-14(13)22-11-12-6-5-9-21-12/h3-9H,2,10-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide has a molecular weight of 334.47 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 9489372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).