N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide

C24H33N3O4S2 — CID 95082114

IUPACN-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
SMILESC[C@H]1CCCCN1CCCNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C24H33N3O4S2/c1-19-5-2-3-13-26(19)14-4-12-25-24(28)21-8-6-20(7-9-21)22-10-11-23(32-22)33(29,30)27-15-17-31-18-16-27/h6-11,19H,2-5,12-18H2,1H3,(H,25,28)/t19-/m0/s1
InChIKeyAXCGAIYBNGIWOP-IBGZPJMESA-N
MW491.68 g/mol
LogP3.43
Rot. Bonds8

About N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide

N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide (PubChem CID 95082114) has the molecular formula C24H33N3O4S2 and a molecular weight of 491.68 g/mol. Its IUPAC name is N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
PubChem CID95082114
Molecular FormulaC24H33N3O4S2
Molecular Weight491.68 g/mol
Exact Mass491.19
IUPAC NameN-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
SMILESC[C@H]1CCCCN1CCCNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C24H33N3O4S2/c1-19-5-2-3-13-26(19)14-4-12-25-24(28)21-8-6-20(7-9-21)22-10-11-23(32-22)33(29,30)27-15-17-31-18-16-27/h6-11,19H,2-5,12-18H2,1H3,(H,25,28)/t19-/m0/s1
InChIKeyAXCGAIYBNGIWOP-IBGZPJMESA-N
XLogP3.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.68
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9472673
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101444
N-[3-(N-methylanilino)propyl]-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101357
4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 84975147
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472549
4-cyano-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472553

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The IUPAC name of N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide (CID 95082114) is N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide.
What is the SMILES notation for N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The canonical SMILES for N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide is C[C@H]1CCCCN1CCCNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1.
What is the InChIKey of N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The InChIKey is AXCGAIYBNGIWOP-IBGZPJMESA-N. The full InChI is InChI=1S/C24H33N3O4S2/c1-19-5-2-3-13-26(19)14-4-12-25-24(28)21-8-6-20(7-9-21)22-10-11-23(32-22)33(29,30)27-15-17-31-18-16-27/h6-11,19H,2-5,12-18H2,1H3,(H,25,28)/t19-/m0/s1.
What are the key properties of N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide has a molecular weight of 491.68 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide is sourced from PubChem (CID 95082114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).