3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide

C21H30N4O4S — CID 56559217

IUPAC3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide
SMILESCn1c(CCC(=O)NC2CCCOC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C21H30N4O4S/c1-24-19-8-7-17(30(27,28)25-11-3-2-4-12-25)14-18(19)23-20(24)9-10-21(26)22-16-6-5-13-29-15-16/h7-8,14,16H,2-6,9-13,15H2,1H3,(H,22,26)
InChIKeyYIWNGYMUVVNMHD-UHFFFAOYSA-N
MW434.56 g/mol
LogP1.98
Rot. Bonds6

About 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide

3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide (PubChem CID 56559217) has the molecular formula C21H30N4O4S and a molecular weight of 434.56 g/mol. Its IUPAC name is 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide.

Molecular Properties

Compound Name3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide
PubChem CID56559217
Molecular FormulaC21H30N4O4S
Molecular Weight434.56 g/mol
Exact Mass434.20
IUPAC Name3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide
SMILESCn1c(CCC(=O)NC2CCCOC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C21H30N4O4S/c1-24-19-8-7-17(30(27,28)25-11-3-2-4-12-25)14-18(19)23-20(24)9-10-21(26)22-16-6-5-13-29-15-16/h7-8,14,16H,2-6,9-13,15H2,1H3,(H,22,26)
InChIKeyYIWNGYMUVVNMHD-UHFFFAOYSA-N
XLogP1.98
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(4-methylcyclohexyl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 42999177
N-(3-hydroxypropyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 70708631
N-[(4-fluorophenyl)methyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 4881682
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3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
CID 26913601
3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 43005992
N-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
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N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-propan-2-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide?
The IUPAC name of 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide (CID 56559217) is 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide.
What is the SMILES notation for 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide?
The canonical SMILES for 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide is Cn1c(CCC(=O)NC2CCCOC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide?
The InChIKey is YIWNGYMUVVNMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S/c1-24-19-8-7-17(30(27,28)25-11-3-2-4-12-25)14-18(19)23-20(24)9-10-21(26)22-16-6-5-13-29-15-16/h7-8,14,16H,2-6,9-13,15H2,1H3,(H,22,26).
What are the key properties of 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide?
3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide has a molecular weight of 434.56 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide is sourced from PubChem (CID 56559217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).