N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide

C20H28N4O3S2 — CID 47043391

IUPACN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)s1
InChIInChI=1S/C20H28N4O3S2/c1-29(26,27)23-11-10-17-7-8-18(28-17)20(25)22-15-16-6-9-19(21-14-16)24-12-4-2-3-5-13-24/h6-9,14,23H,2-5,10-13,15H2,1H3,(H,22,25)
InChIKeyYSLREWNJBXUUQB-UHFFFAOYSA-N
MW436.60 g/mol
LogP2.55
Rot. Bonds8

About N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide (PubChem CID 47043391) has the molecular formula C20H28N4O3S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
PubChem CID47043391
Molecular FormulaC20H28N4O3S2
Molecular Weight436.60 g/mol
Exact Mass436.16
IUPAC NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)s1
InChIInChI=1S/C20H28N4O3S2/c1-29(26,27)23-11-10-17-7-8-18(28-17)20(25)22-15-16-6-9-19(21-14-16)24-12-4-2-3-5-13-24/h6-9,14,23H,2-5,10-13,15H2,1H3,(H,22,25)
InChIKeyYSLREWNJBXUUQB-UHFFFAOYSA-N
XLogP2.55
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 51081411
5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 46580563
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 47043377
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 51116637
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 33248716
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55847000
4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528100

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide (CID 47043391) is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide is CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)s1.
What is the InChIKey of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The InChIKey is YSLREWNJBXUUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S2/c1-29(26,27)23-11-10-17-7-8-18(28-17)20(25)22-15-16-6-9-19(21-14-16)24-12-4-2-3-5-13-24/h6-9,14,23H,2-5,10-13,15H2,1H3,(H,22,25).
What are the key properties of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47043391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).