N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide

C21H35N3O3S — CID 8919230

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCCN(C(C)C)C(C)C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H35N3O3S/c1-16(2)24(17(3)4)14-11-22-21(25)19-10-9-18(5)20(15-19)28(26,27)23-12-7-6-8-13-23/h9-10,15-17H,6-8,11-14H2,1-5H3,(H,22,25)
InChIKeyFVTUUDYGAKJKPB-UHFFFAOYSA-N
MW409.60 g/mol
LogP3.02
Rot. Bonds8

About N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide

N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 8919230) has the molecular formula C21H35N3O3S and a molecular weight of 409.60 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID8919230
Molecular FormulaC21H35N3O3S
Molecular Weight409.60 g/mol
Exact Mass409.24
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCCN(C(C)C)C(C)C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H35N3O3S/c1-16(2)24(17(3)4)14-11-22-21(25)19-10-9-18(5)20(15-19)28(26,27)23-12-7-6-8-13-23/h9-10,15-17H,6-8,11-14H2,1-5H3,(H,22,25)
InChIKeyFVTUUDYGAKJKPB-UHFFFAOYSA-N
XLogP3.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8919211
2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 4104639
3-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 7357086
N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8886322
4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 8923305
3-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)-propan-2-ylamino]propanoic acid
CID 119206881
N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 119448829
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
N-[2-(2,2-diethoxyethoxy)ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 99797773
N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 119588472

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 8919230) is N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)NCCN(C(C)C)C(C)C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is FVTUUDYGAKJKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3S/c1-16(2)24(17(3)4)14-11-22-21(25)19-10-9-18(5)20(15-19)28(26,27)23-12-7-6-8-13-23/h9-10,15-17H,6-8,11-14H2,1-5H3,(H,22,25).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 409.60 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 8919230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).