2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide

C22H23N3O2S — CID 16587948

IUPAC2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
SMILESCC(Sc1nccn1C1CC1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H23N3O2S/c1-16(28-22-23-13-14-25(22)19-9-10-19)21(26)24-18-7-11-20(12-8-18)27-15-17-5-3-2-4-6-17/h2-8,11-14,16,19H,9-10,15H2,1H3,(H,24,26)
InChIKeyOKOPFYFMSJVAJJ-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.92
Rot. Bonds8

About 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide

2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 16587948) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID16587948
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
SMILESCC(Sc1nccn1C1CC1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H23N3O2S/c1-16(28-22-23-13-14-25(22)19-9-10-19)21(26)24-18-7-11-20(12-8-18)27-15-17-5-3-2-4-6-17/h2-8,11-14,16,19H,9-10,15H2,1H3,(H,24,26)
InChIKeyOKOPFYFMSJVAJJ-UHFFFAOYSA-N
XLogP4.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide
CID 46822934
(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide
CID 7866717
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
(2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 7402902
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 111332432
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide
CID 55993734
N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
CID 46695811
2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 46661412
(2R)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 8605463
2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 42883944
(2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
CID 25416730
2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide
CID 18141467

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide (CID 16587948) is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide is CC(Sc1nccn1C1CC1)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is OKOPFYFMSJVAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-16(28-22-23-13-14-25(22)19-9-10-19)21(26)24-18-7-11-20(12-8-18)27-15-17-5-3-2-4-6-17/h2-8,11-14,16,19H,9-10,15H2,1H3,(H,24,26).
What are the key properties of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide?
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 393.51 g/mol, XLogP of 4.92, 8 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-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 16587948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).