5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide

C17H18BrNOS — CID 79987448

IUPAC5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCc1cccc(CN(C(=O)c2cc(C)c(Br)s2)C2CC2)c1
InChIInChI=1S/C17H18BrNOS/c1-11-4-3-5-13(8-11)10-19(14-6-7-14)17(20)15-9-12(2)16(18)21-15/h3-5,8-9,14H,6-7,10H2,1-2H3
InChIKeyYDZALOFAXRSYDW-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.93
Rot. Bonds4

About 5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide

5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 79987448) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
PubChem CID79987448
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC Name5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCc1cccc(CN(C(=O)c2cc(C)c(Br)s2)C2CC2)c1
InChIInChI=1S/C17H18BrNOS/c1-11-4-3-5-13(8-11)10-19(14-6-7-14)17(20)15-9-12(2)16(18)21-15/h3-5,8-9,14H,6-7,10H2,1-2H3
InChIKeyYDZALOFAXRSYDW-UHFFFAOYSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79988886
5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide
CID 79926716
5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 79990331
(E)-4-[cyclopropyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 39360084
5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide
CID 107909347
1-(aminomethyl)-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 115452811
4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide
CID 86891469
5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide
CID 79987863
N-cyclopropyl-N-[(3-methylphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 86926399
3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66009589
N-cyclopropyl-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011279
N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
CID 65215763

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide (CID 79987448) is 5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide is Cc1cccc(CN(C(=O)c2cc(C)c(Br)s2)C2CC2)c1.
What is the InChIKey of 5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is YDZALOFAXRSYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNOS/c1-11-4-3-5-13(8-11)10-19(14-6-7-14)17(20)15-9-12(2)16(18)21-15/h3-5,8-9,14H,6-7,10H2,1-2H3.
What are the key properties of 5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide?
5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 364.31 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 79987448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).