2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide

C20H26N4O3S2 — CID 55508617

IUPAC2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(Sc1nccn1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H26N4O3S2/c1-15(28-20-21-10-13-24(20)17-8-9-17)19(25)22-16-6-5-7-18(14-16)29(26,27)23-11-3-2-4-12-23/h5-7,10,13-15,17H,2-4,8-9,11-12H2,1H3,(H,22,25)
InChIKeyIYUARHOAFSYTIS-UHFFFAOYSA-N
MW434.59 g/mol
LogP3.51
Rot. Bonds7

About 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide

2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 55508617) has the molecular formula C20H26N4O3S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID55508617
Molecular FormulaC20H26N4O3S2
Molecular Weight434.59 g/mol
Exact Mass434.14
IUPAC Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(Sc1nccn1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H26N4O3S2/c1-15(28-20-21-10-13-24(20)17-8-9-17)19(25)22-16-6-5-7-18(14-16)29(26,27)23-11-3-2-4-12-23/h5-7,10,13-15,17H,2-4,8-9,11-12H2,1H3,(H,22,25)
InChIKeyIYUARHOAFSYTIS-UHFFFAOYSA-N
XLogP3.51
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4-methylphenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9404178
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 40529308
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 8813064
(2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 7395631
N-(3-fluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46625514
(2R)-N-(3-cyanophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7594080
1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea
CID 110314101
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 17443656
(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 25437973
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 16587948
1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 31297742
(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41183132

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide (CID 55508617) is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide is CC(Sc1nccn1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is IYUARHOAFSYTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S2/c1-15(28-20-21-10-13-24(20)17-8-9-17)19(25)22-16-6-5-7-18(14-16)29(26,27)23-11-3-2-4-12-23/h5-7,10,13-15,17H,2-4,8-9,11-12H2,1H3,(H,22,25).
What are the key properties of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide?
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 434.59 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55508617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).