N-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide

C24H32N4O4S — CID 26292461

IUPACN-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)c1
InChIInChI=1S/C24H32N4O4S/c1-18-8-7-9-19(16-18)24(30)25-13-12-23(29)26-21-17-20(10-11-22(21)27(2)3)33(31,32)28-14-5-4-6-15-28/h7-11,16-17H,4-6,12-15H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyOXXIVWOLVCKOSV-UHFFFAOYSA-N
MW472.61 g/mol
LogP2.99
Rot. Bonds8

About N-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide

N-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide (PubChem CID 26292461) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide
PubChem CID26292461
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC NameN-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)c1
InChIInChI=1S/C24H32N4O4S/c1-18-8-7-9-19(16-18)24(30)25-13-12-23(29)26-21-17-20(10-11-22(21)27(2)3)33(31,32)28-14-5-4-6-15-28/h7-11,16-17H,4-6,12-15H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyOXXIVWOLVCKOSV-UHFFFAOYSA-N
XLogP2.99
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide
CID 33297350
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide
CID 33297922
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605980
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
CID 7761111
3-methoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 17226232
N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-3-methoxybenzamide
CID 17226245
4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 26265706
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]cyclopropanecarboxamide
CID 26292561
2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 26440019
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(2-fluorophenyl)prop-2-enamide
CID 55344900
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-nitrobenzamide
CID 4820711
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8909751

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide?
The IUPAC name of N-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide (CID 26292461) is N-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)c1.
What is the InChIKey of N-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide?
The InChIKey is OXXIVWOLVCKOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-18-8-7-9-19(16-18)24(30)25-13-12-23(29)26-21-17-20(10-11-22(21)27(2)3)33(31,32)28-14-5-4-6-15-28/h7-11,16-17H,4-6,12-15H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of N-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide?
N-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide has a molecular weight of 472.61 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide is sourced from PubChem (CID 26292461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).