4-(5-bromothiophen-2-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide

C19H21BrN4OS — CID 24515789

IUPAC4-(5-bromothiophen-2-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)C(=O)CCCc1ccc(Br)s1
InChIInChI=1S/C19H21BrN4OS/c1-14(15-6-8-16(9-7-15)24-13-21-12-22-24)23(2)19(25)5-3-4-17-10-11-18(20)26-17/h6-14H,3-5H2,1-2H3
InChIKeyZMLIDBXCNUZCAR-UHFFFAOYSA-N
MW433.38 g/mol
LogP4.63
Rot. Bonds7

About 4-(5-bromothiophen-2-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide

4-(5-bromothiophen-2-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide (PubChem CID 24515789) has the molecular formula C19H21BrN4OS and a molecular weight of 433.38 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
PubChem CID24515789
Molecular FormulaC19H21BrN4OS
Molecular Weight433.38 g/mol
Exact Mass432.06
IUPAC Name4-(5-bromothiophen-2-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)C(=O)CCCc1ccc(Br)s1
InChIInChI=1S/C19H21BrN4OS/c1-14(15-6-8-16(9-7-15)24-13-21-12-22-24)23(2)19(25)5-3-4-17-10-11-18(20)26-17/h6-14H,3-5H2,1-2H3
InChIKeyZMLIDBXCNUZCAR-UHFFFAOYSA-N
XLogP4.63
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(5-bromothiophen-2-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide with MolForge

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Related Compounds

4-acetamido-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 94174421
3-(4-fluorophenyl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 9471332
4-(2-ethoxyphenoxy)-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 9470954
2-[acetyl(methyl)amino]-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 94092125
N-methyl-4-oxo-4-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 9471078
N-methyl-3-pyridin-3-yl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 40717649
N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9470892
N-methyl-4-(3-methylphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 51201707
N-methyl-2-(4-propan-2-ylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 9471354
4-bromo-N-[2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]benzamide
CID 112795514
2-cyclopentyl-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 78808650
2-(2-chlorophenyl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 9471057

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide (CID 24515789) is 4-(5-bromothiophen-2-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide is CC(c1ccc(-n2cncn2)cc1)N(C)C(=O)CCCc1ccc(Br)s1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide?
The InChIKey is ZMLIDBXCNUZCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4OS/c1-14(15-6-8-16(9-7-15)24-13-21-12-22-24)23(2)19(25)5-3-4-17-10-11-18(20)26-17/h6-14H,3-5H2,1-2H3.
What are the key properties of 4-(5-bromothiophen-2-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide?
4-(5-bromothiophen-2-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide has a molecular weight of 433.38 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide is sourced from PubChem (CID 24515789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).