4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide

C16H17ClN2O2S — CID 7779935

IUPAC4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide
SMILESCN(Cc1cccs1)C(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2S/c1-19(11-14-3-2-10-22-14)15(20)8-9-18-16(21)12-4-6-13(17)7-5-12/h2-7,10H,8-9,11H2,1H3,(H,18,21)
InChIKeyQULOPAPSBLWIEM-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.18
Rot. Bonds6

About 4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide

4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide (PubChem CID 7779935) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide
PubChem CID7779935
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide
SMILESCN(Cc1cccs1)C(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2S/c1-19(11-14-3-2-10-22-14)15(20)8-9-18-16(21)12-4-6-13(17)7-5-12/h2-7,10H,8-9,11H2,1H3,(H,18,21)
InChIKeyQULOPAPSBLWIEM-UHFFFAOYSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide
CID 9369047
4-fluoro-N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 18114254
N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-oxopropyl]-4-chlorobenzamide
CID 17397418
N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 38562903
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27665840
4-chloro-N-[4-[methyl(naphthalen-2-ylmethyl)amino]-4-oxobutyl]benzamide
CID 27848251
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540
N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 38746463
4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide
CID 18283094
4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 79201475

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide (CID 7779935) is 4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide is CN(Cc1cccs1)C(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide?
The InChIKey is QULOPAPSBLWIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-19(11-14-3-2-10-22-14)15(20)8-9-18-16(21)12-4-6-13(17)7-5-12/h2-7,10H,8-9,11H2,1H3,(H,18,21).
What are the key properties of 4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide has a molecular weight of 336.84 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 7779935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).