N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide

C21H26ClN3O3S2 — CID 26648872

IUPACN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)Cc1cccs1
InChIInChI=1S/C21H26ClN3O3S2/c1-2-10-24(15-18-7-6-13-29-18)16-21(26)23-17-8-9-19(22)20(14-17)30(27,28)25-11-4-3-5-12-25/h2,6-9,13-14H,1,3-5,10-12,15-16H2,(H,23,26)
InChIKeyFMWAMILFSFCRIE-UHFFFAOYSA-N
MW468.04 g/mol
LogP4.20
Rot. Bonds9

About N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide

N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 26648872) has the molecular formula C21H26ClN3O3S2 and a molecular weight of 468.04 g/mol. Its IUPAC name is N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID26648872
Molecular FormulaC21H26ClN3O3S2
Molecular Weight468.04 g/mol
Exact Mass467.11
IUPAC NameN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)Cc1cccs1
InChIInChI=1S/C21H26ClN3O3S2/c1-2-10-24(15-18-7-6-13-29-18)16-21(26)23-17-8-9-19(22)20(14-17)30(27,28)25-11-4-3-5-12-25/h2,6-9,13-14H,1,3-5,10-12,15-16H2,(H,23,26)
InChIKeyFMWAMILFSFCRIE-UHFFFAOYSA-N
XLogP4.20
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.04
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 78822124
N-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 78808517
2-[ethyl(thiophen-2-ylmethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8718133
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 31009711
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-thiophen-2-ylacetamide
CID 4303625
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 41134910
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 4882272
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55687080
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 41190149
N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 8614889
2-tert-butylsulfanyl-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 78769070
N-(4-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 1305863

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide (CID 26648872) is N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide is C=CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)Cc1cccs1.
What is the InChIKey of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is FMWAMILFSFCRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3S2/c1-2-10-24(15-18-7-6-13-29-18)16-21(26)23-17-8-9-19(22)20(14-17)30(27,28)25-11-4-3-5-12-25/h2,6-9,13-14H,1,3-5,10-12,15-16H2,(H,23,26).
What are the key properties of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide?
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 468.04 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 26648872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).