N-(4-chlorophenyl)-2-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]sulfanylacetamide

C17H19ClN2O2S2 — CID 9020518

IUPACN-(4-chlorophenyl)-2-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]sulfanylacetamide
SMILESCc1ccsc1CN(C)C(=O)CSCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2S2/c1-12-7-8-24-15(12)9-20(2)17(22)11-23-10-16(21)19-14-5-3-13(18)4-6-14/h3-8H,9-11H2,1-2H3,(H,19,21)
InChIKeyQAFDLIMFHCCITE-UHFFFAOYSA-N
MW382.94 g/mol
LogP4.04
Rot. Bonds7

About N-(4-chlorophenyl)-2-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]sulfanylacetamide

N-(4-chlorophenyl)-2-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 9020518) has the molecular formula C17H19ClN2O2S2 and a molecular weight of 382.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]sulfanylacetamide
PubChem CID9020518
Molecular FormulaC17H19ClN2O2S2
Molecular Weight382.94 g/mol
Exact Mass382.06
IUPAC NameN-(4-chlorophenyl)-2-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]sulfanylacetamide
SMILESCc1ccsc1CN(C)C(=O)CSCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2S2/c1-12-7-8-24-15(12)9-20(2)17(22)11-23-10-16(21)19-14-5-3-13(18)4-6-14/h3-8H,9-11H2,1-2H3,(H,19,21)
InChIKeyQAFDLIMFHCCITE-UHFFFAOYSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 9020428
2-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9183230
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9433713
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 31181878
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
2-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 32760596
N-(3-chloro-4-methylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433715
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 6969899
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60939275

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]sulfanylacetamide (CID 9020518) is N-(4-chlorophenyl)-2-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]sulfanylacetamide is Cc1ccsc1CN(C)C(=O)CSCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is QAFDLIMFHCCITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S2/c1-12-7-8-24-15(12)9-20(2)17(22)11-23-10-16(21)19-14-5-3-13(18)4-6-14/h3-8H,9-11H2,1-2H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 382.94 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 9020518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).