N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide

C14H17N3OS — CID 47138421

IUPACN-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Sc2nccn2C)cc1
InChIInChI=1S/C14H17N3OS/c1-3-4-13(18)16-11-5-7-12(8-6-11)19-14-15-9-10-17(14)2/h5-10H,3-4H2,1-2H3,(H,16,18)
InChIKeyUJLFOHITRJAMNS-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.31
Rot. Bonds5

About N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide

N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide (PubChem CID 47138421) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide.

Molecular Properties

Compound NameN-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide
PubChem CID47138421
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Sc2nccn2C)cc1
InChIInChI=1S/C14H17N3OS/c1-3-4-13(18)16-11-5-7-12(8-6-11)19-14-15-9-10-17(14)2/h5-10H,3-4H2,1-2H3,(H,16,18)
InChIKeyUJLFOHITRJAMNS-UHFFFAOYSA-N
XLogP3.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 55497406
2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
CID 119699001
2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
CID 51297425
4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride
CID 120587660
2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride
CID 119276286
2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide
CID 55519361
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-oxobutanamide
CID 56567481
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide
CID 55497254
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55507708
N-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 23973496
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134043238
5-ethyl-4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]thiophene-2-carboxamide
CID 55491048

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide?
The IUPAC name of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide (CID 47138421) is N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide.
What is the SMILES notation for N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide?
The canonical SMILES for N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide is CCCC(=O)Nc1ccc(Sc2nccn2C)cc1.
What is the InChIKey of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide?
The InChIKey is UJLFOHITRJAMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-4-13(18)16-11-5-7-12(8-6-11)19-14-15-9-10-17(14)2/h5-10H,3-4H2,1-2H3,(H,16,18).
What are the key properties of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide?
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide has a molecular weight of 275.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide is sourced from PubChem (CID 47138421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).