N-[(3-bromophenyl)methyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

C16H16BrNOS2 — CID 80711677

IUPACN-[(3-bromophenyl)methyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1cc2c(s1)CCSC2
InChIInChI=1S/C16H16BrNOS2/c1-18(9-11-3-2-4-13(17)7-11)16(19)15-8-12-10-20-6-5-14(12)21-15/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyOFUFIEIYKUYWOE-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.57
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

N-[(3-bromophenyl)methyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (PubChem CID 80711677) has the molecular formula C16H16BrNOS2 and a molecular weight of 382.35 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
PubChem CID80711677
Molecular FormulaC16H16BrNOS2
Molecular Weight382.35 g/mol
Exact Mass380.99
IUPAC NameN-[(3-bromophenyl)methyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1cc2c(s1)CCSC2
InChIInChI=1S/C16H16BrNOS2/c1-18(9-11-3-2-4-13(17)7-11)16(19)15-8-12-10-20-6-5-14(12)21-15/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyOFUFIEIYKUYWOE-UHFFFAOYSA-N
XLogP4.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl(methyl)amino]butanoic acid
CID 81269516
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261928
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-phenylpropan-1-one
CID 114962869
2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
CID 106852279
N-[(5-bromo-2-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 80712161
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylphenyl)methanone
CID 81268783
2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone
CID 62036527
2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
CID 60736552
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
CID 81260755
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
N-[(3-bromophenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104626014

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (CID 80711677) is N-[(3-bromophenyl)methyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is CN(Cc1cccc(Br)c1)C(=O)c1cc2c(s1)CCSC2.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The InChIKey is OFUFIEIYKUYWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS2/c1-18(9-11-3-2-4-13(17)7-11)16(19)15-8-12-10-20-6-5-14(12)21-15/h2-4,7-8H,5-6,9-10H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
N-[(3-bromophenyl)methyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide has a molecular weight of 382.35 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is sourced from PubChem (CID 80711677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).