N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide

C21H28N4O4S2 — CID 55749896

IUPACN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCCCC2)nc1)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H28N4O4S2/c26-21(20-18(7-14-30-20)31(27,28)25-10-12-29-13-11-25)23-16-17-5-6-19(22-15-17)24-8-3-1-2-4-9-24/h5-7,14-15H,1-4,8-13,16H2,(H,23,26)
InChIKeyCMICUZNVMZFKJD-UHFFFAOYSA-N
MW464.61 g/mol
LogP2.47
Rot. Bonds6

About N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 55749896) has the molecular formula C21H28N4O4S2 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID55749896
Molecular FormulaC21H28N4O4S2
Molecular Weight464.61 g/mol
Exact Mass464.16
IUPAC NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCCCC2)nc1)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H28N4O4S2/c26-21(20-18(7-14-30-20)31(27,28)25-10-12-29-13-11-25)23-16-17-5-6-19(22-15-17)24-8-3-1-2-4-9-24/h5-7,14-15H,1-4,8-13,16H2,(H,23,26)
InChIKeyCMICUZNVMZFKJD-UHFFFAOYSA-N
XLogP2.47
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide with MolForge

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Related Compounds

3-morpholin-4-ylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 22108462
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 55844654
3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 55972123
3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide
CID 25391714
5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246200
2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid
CID 119249833
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide
CID 24646619
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55897304
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46486195
N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 38075450

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide (CID 55749896) is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide is O=C(NCc1ccc(N2CCCCCC2)nc1)c1sccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is CMICUZNVMZFKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S2/c26-21(20-18(7-14-30-20)31(27,28)25-10-12-29-13-11-25)23-16-17-5-6-19(22-15-17)24-8-3-1-2-4-9-24/h5-7,14-15H,1-4,8-13,16H2,(H,23,26).
What are the key properties of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 464.61 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 55749896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).