4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide

C19H24BrNO3S — CID 78875354

IUPAC4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide
SMILESCOc1cc(C)c(C(C)NC(=O)CCCc2ccc(Br)s2)cc1OC
InChIInChI=1S/C19H24BrNO3S/c1-12-10-16(23-3)17(24-4)11-15(12)13(2)21-19(22)7-5-6-14-8-9-18(20)25-14/h8-11,13H,5-7H2,1-4H3,(H,21,22)
InChIKeyUQXPGOHSUCIMDY-UHFFFAOYSA-N
MW426.38 g/mol
LogP5.04
Rot. Bonds8

About 4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide

4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide (PubChem CID 78875354) has the molecular formula C19H24BrNO3S and a molecular weight of 426.38 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide
PubChem CID78875354
Molecular FormulaC19H24BrNO3S
Molecular Weight426.38 g/mol
Exact Mass425.07
IUPAC Name4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide
SMILESCOc1cc(C)c(C(C)NC(=O)CCCc2ccc(Br)s2)cc1OC
InChIInChI=1S/C19H24BrNO3S/c1-12-10-16(23-3)17(24-4)11-15(12)13(2)21-19(22)7-5-6-14-8-9-18(20)25-14/h8-11,13H,5-7H2,1-4H3,(H,21,22)
InChIKeyUQXPGOHSUCIMDY-UHFFFAOYSA-N
XLogP5.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.38
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide
CID 119720154
(2S)-2-[4-(5-bromothiophen-2-yl)butanoylamino]-4-methoxy-4-oxobutanoic acid
CID 63307425
2-[4-(5-bromothiophen-2-yl)butanoylamino]-3-methylpentanoic acid
CID 43171239
5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide
CID 78878462
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide
CID 95303083
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 51212418
4-[4-(5-bromothiophen-2-yl)butanoylamino]-3-methylbutanoic acid
CID 81063121
4-amino-2-[4-(5-bromothiophen-2-yl)butanoylamino]-4-oxobutanoic acid
CID 43171463
4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide
CID 78861198
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721
4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
CID 106353383
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 9477807

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide (CID 78875354) is 4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide is COc1cc(C)c(C(C)NC(=O)CCCc2ccc(Br)s2)cc1OC.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide?
The InChIKey is UQXPGOHSUCIMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO3S/c1-12-10-16(23-3)17(24-4)11-15(12)13(2)21-19(22)7-5-6-14-8-9-18(20)25-14/h8-11,13H,5-7H2,1-4H3,(H,21,22).
What are the key properties of 4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide?
4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide has a molecular weight of 426.38 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 78875354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).