N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide

C14H14BrNOS2 — CID 107026055

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)Cc1ccc(S)cc1
InChIInChI=1S/C14H14BrNOS2/c1-16(8-13-7-11(15)9-19-13)14(17)6-10-2-4-12(18)5-3-10/h2-5,7,9,18H,6,8H2,1H3
InChIKeyNSGRXHROJKPXPV-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.00
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide (PubChem CID 107026055) has the molecular formula C14H14BrNOS2 and a molecular weight of 356.31 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
PubChem CID107026055
Molecular FormulaC14H14BrNOS2
Molecular Weight356.31 g/mol
Exact Mass354.97
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)Cc1ccc(S)cc1
InChIInChI=1S/C14H14BrNOS2/c1-16(8-13-7-11(15)9-19-13)14(17)6-10-2-4-12(18)5-3-10/h2-5,7,9,18H,6,8H2,1H3
InChIKeyNSGRXHROJKPXPV-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107025972
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide
CID 115648822
N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107020688
2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide
CID 105351841
N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 47042136
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
CID 107338022
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107024320
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 55028858
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
CID 60947450
N-[(4-bromothiophen-2-yl)methyl]-2-[(4-cyanophenyl)methyl-methylamino]-N-methylacetamide
CID 87016445
2-(1,2-benzoxazol-3-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
CID 47042188

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide (CID 107026055) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide is CN(Cc1cc(Br)cs1)C(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide?
The InChIKey is NSGRXHROJKPXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS2/c1-16(8-13-7-11(15)9-19-13)14(17)6-10-2-4-12(18)5-3-10/h2-5,7,9,18H,6,8H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide has a molecular weight of 356.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107026055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).