2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide

C21H21N3O2S — CID 16587969

IUPAC2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CSc2nccn2C2CC2)cc1
InChIInChI=1S/C21H21N3O2S/c1-15-6-10-17(11-7-15)26-19-5-3-2-4-18(19)23-20(25)14-27-21-22-12-13-24(21)16-8-9-16/h2-7,10-13,16H,8-9,14H2,1H3,(H,23,25)
InChIKeyRRRVMDQLRBRPNI-UHFFFAOYSA-N
MW379.49 g/mol
LogP5.05
Rot. Bonds7

About 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide

2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide (PubChem CID 16587969) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide
PubChem CID16587969
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CSc2nccn2C2CC2)cc1
InChIInChI=1S/C21H21N3O2S/c1-15-6-10-17(11-7-15)26-19-5-3-2-4-18(19)23-20(25)14-27-21-22-12-13-24(21)16-8-9-16/h2-7,10-13,16H,8-9,14H2,1H3,(H,23,25)
InChIKeyRRRVMDQLRBRPNI-UHFFFAOYSA-N
XLogP5.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 16586392
N-(2-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 17440485
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide
CID 17449965
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 22585440
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 16587926
N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 16587956
2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24649349
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 51108679
2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 16587947
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 17438297
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 46688550
N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 47137410

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide?
The IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide (CID 16587969) is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide is Cc1ccc(Oc2ccccc2NC(=O)CSc2nccn2C2CC2)cc1.
What is the InChIKey of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide?
The InChIKey is RRRVMDQLRBRPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-15-6-10-17(11-7-15)26-19-5-3-2-4-18(19)23-20(25)14-27-21-22-12-13-24(21)16-8-9-16/h2-7,10-13,16H,8-9,14H2,1H3,(H,23,25).
What are the key properties of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide?
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide has a molecular weight of 379.49 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 16587969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).