4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide

C16H16BrNO2S — CID 78987908

IUPAC4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H16BrNO2S/c1-20-15-9-11(17)4-7-14(15)16(19)18(12-5-6-12)10-13-3-2-8-21-13/h2-4,7-9,12H,5-6,10H2,1H3
InChIKeyNMPPLRQGDCCBGU-UHFFFAOYSA-N
MW366.28 g/mol
LogP4.32
Rot. Bonds5

About 4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide

4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 78987908) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID78987908
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC Name4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H16BrNO2S/c1-20-15-9-11(17)4-7-14(15)16(19)18(12-5-6-12)10-13-3-2-8-21-13/h2-4,7-9,12H,5-6,10H2,1H3
InChIKeyNMPPLRQGDCCBGU-UHFFFAOYSA-N
XLogP4.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-bromoethyl)-N-cyclopropyl-2-methoxybenzamide
CID 113296216
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61106307
2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 81393720
N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 134004531
ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate
CID 78987795
1-[4-bromo-2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]ethanone
CID 82966803
N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 82795082
4-bromo-N-(cyanomethyl)-N-cyclopentyl-2-methoxybenzamide
CID 78997563
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide
CID 115369193
3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 61107791

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide (CID 78987908) is 4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide is COc1cc(Br)ccc1C(=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of 4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is NMPPLRQGDCCBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c1-20-15-9-11(17)4-7-14(15)16(19)18(12-5-6-12)10-13-3-2-8-21-13/h2-4,7-9,12H,5-6,10H2,1H3.
What are the key properties of 4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide?
4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 366.28 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 78987908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).