3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide

C15H14BrNOS — CID 51889465

IUPAC3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cccc(Br)c1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H14BrNOS/c16-12-4-1-3-11(9-12)15(18)17(13-6-7-13)10-14-5-2-8-19-14/h1-5,8-9,13H,6-7,10H2
InChIKeyPXZFSAMRTHQZTP-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.32
Rot. Bonds4

About 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide

3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 51889465) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID51889465
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC Name3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cccc(Br)c1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H14BrNOS/c16-12-4-1-3-11(9-12)15(18)17(13-6-7-13)10-14-5-2-8-19-14/h1-5,8-9,13H,6-7,10H2
InChIKeyPXZFSAMRTHQZTP-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024795
3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 39153809
3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 61107791
3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 37484481
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-bromo-N-cyclohexylbenzamide
CID 5018410
5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 90610645
3-bromo-N-cyclopropyl-N-ethylbenzamide
CID 43243353
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 90610702
N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide
CID 55581078
4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 78987908

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide (CID 51889465) is 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide is O=C(c1cccc(Br)c1)N(Cc1cccs1)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is PXZFSAMRTHQZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c16-12-4-1-3-11(9-12)15(18)17(13-6-7-13)10-14-5-2-8-19-14/h1-5,8-9,13H,6-7,10H2.
What are the key properties of 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 336.25 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 51889465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).