N-propan-2-yl-2-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide

C21H26N4O2S — CID 7974875

IUPACN-propan-2-yl-2-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide
SMILESCC(C)NC(=O)CSc1ccccc1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H26N4O2S/c1-16(2)23-20(26)15-28-18-8-4-3-7-17(18)21(27)25-13-11-24(12-14-25)19-9-5-6-10-22-19/h3-10,16H,11-15H2,1-2H3,(H,23,26)
InChIKeyWEQKNDIWZRONNB-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.66
Rot. Bonds6

About N-propan-2-yl-2-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide

N-propan-2-yl-2-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide (PubChem CID 7974875) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-propan-2-yl-2-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide
PubChem CID7974875
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-propan-2-yl-2-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide
SMILESCC(C)NC(=O)CSc1ccccc1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H26N4O2S/c1-16(2)23-20(26)15-28-18-8-4-3-7-17(18)21(27)25-13-11-24(12-14-25)19-9-5-6-10-22-19/h3-10,16H,11-15H2,1-2H3,(H,23,26)
InChIKeyWEQKNDIWZRONNB-UHFFFAOYSA-N
XLogP2.66
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(azepane-1-carbonyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 7779316
1-[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoyl]pyrrolidine-3-carboxylic acid
CID 119355001
2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]sulfanyl-N-propan-2-ylacetamide
CID 119622094
2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108957240
2-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]sulfanyl-N-propan-2-ylacetamide;hydrochloride
CID 120655618
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109044082
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
2-[4-[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55460390
2-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]sulfanyl-N-propan-2-ylacetamide;hydrochloride
CID 119593229
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide
CID 53161580

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide?
The IUPAC name of N-propan-2-yl-2-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide (CID 7974875) is N-propan-2-yl-2-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-propan-2-yl-2-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-propan-2-yl-2-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide is CC(C)NC(=O)CSc1ccccc1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-propan-2-yl-2-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide?
The InChIKey is WEQKNDIWZRONNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-16(2)23-20(26)15-28-18-8-4-3-7-17(18)21(27)25-13-11-24(12-14-25)19-9-5-6-10-22-19/h3-10,16H,11-15H2,1-2H3,(H,23,26).
What are the key properties of N-propan-2-yl-2-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide?
N-propan-2-yl-2-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide has a molecular weight of 398.53 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 7974875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).