N-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C19H23N5OS — CID 7267576

IUPACN-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCCc1ccc(NC(=O)CSc2nnc(C)n2-n2cccc2)cc1
InChIInChI=1S/C19H23N5OS/c1-3-4-7-16-8-10-17(11-9-16)20-18(25)14-26-19-22-21-15(2)24(19)23-12-5-6-13-23/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,20,25)
InChIKeyGWSVEIMIRADDER-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.77
Rot. Bonds8

About N-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 7267576) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID7267576
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCCc1ccc(NC(=O)CSc2nnc(C)n2-n2cccc2)cc1
InChIInChI=1S/C19H23N5OS/c1-3-4-7-16-8-10-17(11-9-16)20-18(25)14-26-19-22-21-15(2)24(19)23-12-5-6-13-23/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,20,25)
InChIKeyGWSVEIMIRADDER-UHFFFAOYSA-N
XLogP3.77
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7267691
N-(4-butylphenyl)-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2047105
2-[4-[4-[2-(4-butylanilino)-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(4-butylphenyl)acetamide
CID 3490839
N-(4-ethylphenyl)-2-[(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7579940
N-(4-butylphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3946572
N-(4-butylphenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 21013995
2-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)acetamide
CID 23406455
N-(4-butylphenyl)-2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3894164
2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide
CID 2228588
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
CID 3604206
N-(4-butylphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 9075685
N-(4-bromo-3-methylphenyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16955493

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 7267576) is N-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCCc1ccc(NC(=O)CSc2nnc(C)n2-n2cccc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is GWSVEIMIRADDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-3-4-7-16-8-10-17(11-9-16)20-18(25)14-26-19-22-21-15(2)24(19)23-12-5-6-13-23/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,20,25).
What are the key properties of N-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 7267576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).