N-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride

C18H23ClN3O3S2- — CID 53347816

IUPACN-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride
SMILESO=C(CNCc1cccs1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.[Cl-]
InChIInChI=1S/C18H23N3O3S2.ClH/c22-18(14-19-13-16-5-4-12-25-16)20-15-6-8-17(9-7-15)26(23,24)21-10-2-1-3-11-21;/h4-9,12,19H,1-3,10-11,13-14H2,(H,20,22);1H/p-1
InChIKeyQEHZTNIBNZLAIA-UHFFFAOYSA-M
MW428.99 g/mol
LogP-0.34
Rot. Bonds7

About N-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride

N-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride (PubChem CID 53347816) has the molecular formula C18H23ClN3O3S2- and a molecular weight of 428.99 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride
PubChem CID53347816
Molecular FormulaC18H23ClN3O3S2-
Molecular Weight428.99 g/mol
Exact Mass428.09
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride
SMILESO=C(CNCc1cccs1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.[Cl-]
InChIInChI=1S/C18H23N3O3S2.ClH/c22-18(14-19-13-16-5-4-12-25-16)20-15-6-8-17(9-7-15)26(23,24)21-10-2-1-3-11-21;/h4-9,12,19H,1-3,10-11,13-14H2,(H,20,22);1H/p-1
InChIKeyQEHZTNIBNZLAIA-UHFFFAOYSA-M
XLogP-0.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.99
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 1305863
N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 8614889
3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 3163464
2-[4-(azepan-1-ylsulfonyl)anilino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78795390
(2R)-2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8516869
2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3160801
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8718360
(3R)-3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-thiophen-2-ylpropanamide
CID 26062626
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627396
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-thiophen-2-ylacetamide
CID 4303625
N-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 43242497

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride (CID 53347816) is N-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride is O=C(CNCc1cccs1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.[Cl-].
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride?
The InChIKey is QEHZTNIBNZLAIA-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H23N3O3S2.ClH/c22-18(14-19-13-16-5-4-12-25-16)20-15-6-8-17(9-7-15)26(23,24)21-10-2-1-3-11-21;/h4-9,12,19H,1-3,10-11,13-14H2,(H,20,22);1H/p-1.
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride?
N-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride has a molecular weight of 428.99 g/mol, XLogP of -0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride is sourced from PubChem (CID 53347816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).