2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide

C15H20N4OS — CID 66130148

IUPAC2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide
SMILESCCCn1cncc1CNc1ccccc1SCC(N)=O
InChIInChI=1S/C15H20N4OS/c1-2-7-19-11-17-8-12(19)9-18-13-5-3-4-6-14(13)21-10-15(16)20/h3-6,8,11,18H,2,7,9-10H2,1H3,(H2,16,20)
InChIKeySUGBCFDOXYVPJR-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.48
Rot. Bonds8

About 2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide

2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide (PubChem CID 66130148) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide
PubChem CID66130148
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide
SMILESCCCn1cncc1CNc1ccccc1SCC(N)=O
InChIInChI=1S/C15H20N4OS/c1-2-7-19-11-17-8-12(19)9-18-13-5-3-4-6-14(13)21-10-15(16)20/h3-6,8,11,18H,2,7,9-10H2,1H3,(H2,16,20)
InChIKeySUGBCFDOXYVPJR-UHFFFAOYSA-N
XLogP2.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethylsulfanyl)-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133125
2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66130936
2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133336
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135192
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66131145
2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 114254514
4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66131346
2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol
CID 66153230
N-[(3-propylimidazol-4-yl)methyl]quinolin-8-amine
CID 66135184
2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 43231952

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide (CID 66130148) is 2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide is CCCn1cncc1CNc1ccccc1SCC(N)=O.
What is the InChIKey of 2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide?
The InChIKey is SUGBCFDOXYVPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-7-19-11-17-8-12(19)9-18-13-5-3-4-6-14(13)21-10-15(16)20/h3-6,8,11,18H,2,7,9-10H2,1H3,(H2,16,20).
What are the key properties of 2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide?
2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide has a molecular weight of 304.42 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 66130148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).