4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide

C17H21N3O3S2 — CID 50777609

IUPAC4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)c1
InChIInChI=1S/C17H21N3O3S2/c1-13-6-7-18-15(10-13)19-25(22,23)16-11-14(12-24-16)17(21)20-8-4-2-3-5-9-20/h6-7,10-12H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyBRJZDRZKUHFQSH-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.27
Rot. Bonds4

About 4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide

4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide (PubChem CID 50777609) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide
PubChem CID50777609
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)c1
InChIInChI=1S/C17H21N3O3S2/c1-13-6-7-18-15(10-13)19-25(22,23)16-11-14(12-24-16)17(21)20-8-4-2-3-5-9-20/h6-7,10-12H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyBRJZDRZKUHFQSH-UHFFFAOYSA-N
XLogP3.27
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806760
N-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777514
N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806843
4-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 50777549
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)thiophene-2-sulfonamide
CID 50777685
N-(3-acetylphenyl)-4-(azepane-1-carbonyl)thiophene-2-sulfonamide
CID 50777717
N-(4-methyl-2-pyridinyl)azepane-1-carboxamide
CID 127514123
N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777456
N-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777538
4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 50777672
4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65372779
4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 51270491

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide (CID 50777609) is 4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide is Cc1ccnc(NS(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)c1.
What is the InChIKey of 4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide?
The InChIKey is BRJZDRZKUHFQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-13-6-7-18-15(10-13)19-25(22,23)16-11-14(12-24-16)17(21)20-8-4-2-3-5-9-20/h6-7,10-12H,2-5,8-9H2,1H3,(H,18,19).
What are the key properties of 4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide?
4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide has a molecular weight of 379.51 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide is sourced from PubChem (CID 50777609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).