N-[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxoazepan-4-yl]pentanamide

C17H25N3O4S — CID 70120789

IUPACN-[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxoazepan-4-yl]pentanamide
SMILESCCCCC(=O)NC1CCCN(S(=O)(=O)c2ncccc2C)CC1=O
InChIInChI=1S/C17H25N3O4S/c1-3-4-9-16(22)19-14-8-6-11-20(12-15(14)21)25(23,24)17-13(2)7-5-10-18-17/h5,7,10,14H,3-4,6,8-9,11-12H2,1-2H3,(H,19,22)
InChIKeyCNACLAWYNRLBLX-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.42
Rot. Bonds6

About N-[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxoazepan-4-yl]pentanamide

N-[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxoazepan-4-yl]pentanamide (PubChem CID 70120789) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxoazepan-4-yl]pentanamide.

Molecular Properties

Compound NameN-[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxoazepan-4-yl]pentanamide
PubChem CID70120789
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxoazepan-4-yl]pentanamide
SMILESCCCCC(=O)NC1CCCN(S(=O)(=O)c2ncccc2C)CC1=O
InChIInChI=1S/C17H25N3O4S/c1-3-4-9-16(22)19-14-8-6-11-20(12-15(14)21)25(23,24)17-13(2)7-5-10-18-17/h5,7,10,14H,3-4,6,8-9,11-12H2,1-2H3,(H,19,22)
InChIKeyCNACLAWYNRLBLX-UHFFFAOYSA-N
XLogP1.42
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxoazepan-4-yl]pentanamide?
The IUPAC name of N-[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxoazepan-4-yl]pentanamide (CID 70120789) is N-[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxoazepan-4-yl]pentanamide.
What is the SMILES notation for N-[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxoazepan-4-yl]pentanamide?
The canonical SMILES for N-[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxoazepan-4-yl]pentanamide is CCCCC(=O)NC1CCCN(S(=O)(=O)c2ncccc2C)CC1=O.
What is the InChIKey of N-[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxoazepan-4-yl]pentanamide?
The InChIKey is CNACLAWYNRLBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-3-4-9-16(22)19-14-8-6-11-20(12-15(14)21)25(23,24)17-13(2)7-5-10-18-17/h5,7,10,14H,3-4,6,8-9,11-12H2,1-2H3,(H,19,22).
What are the key properties of N-[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxoazepan-4-yl]pentanamide?
N-[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxoazepan-4-yl]pentanamide has a molecular weight of 367.47 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methyl-2-pyridinyl)sulfonyl]-3-oxoazepan-4-yl]pentanamide is sourced from PubChem (CID 70120789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).