N-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide

C14H13BrClNOS2 — CID 33295688

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)NCc1ccc(Br)s1
InChIInChI=1S/C14H13BrClNOS2/c15-13-6-5-12(20-13)7-17-14(18)9-19-8-10-1-3-11(16)4-2-10/h1-6H,7-9H2,(H,17,18)
InChIKeyJWBFIOYWOYRBIY-UHFFFAOYSA-N
MW390.76 g/mol
LogP4.71
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide

N-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide (PubChem CID 33295688) has the molecular formula C14H13BrClNOS2 and a molecular weight of 390.76 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
PubChem CID33295688
Molecular FormulaC14H13BrClNOS2
Molecular Weight390.76 g/mol
Exact Mass388.93
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)NCc1ccc(Br)s1
InChIInChI=1S/C14H13BrClNOS2/c15-13-6-5-12(20-13)7-17-14(18)9-19-8-10-1-3-11(16)4-2-10/h1-6H,7-9H2,(H,17,18)
InChIKeyJWBFIOYWOYRBIY-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.76
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 880125
N-[(5-bromothiophen-2-yl)methyl]-2-(4-chlorophenoxy)acetamide
CID 32775706
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 31322315
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide
CID 115637013
2-(4-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 54904398
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]acetate
CID 8552014
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid
CID 61011624
3-[[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]benzamide
CID 33094692
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 37017604
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 32775638
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 1278117

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide (CID 33295688) is N-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide is O=C(CSCc1ccc(Cl)cc1)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
The InChIKey is JWBFIOYWOYRBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNOS2/c15-13-6-5-12(20-13)7-17-14(18)9-19-8-10-1-3-11(16)4-2-10/h1-6H,7-9H2,(H,17,18).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
N-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide has a molecular weight of 390.76 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 33295688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).