N-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide

C16H18N2O2S3 — CID 75463880

IUPACN-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
SMILESO=C(Nc1sccc1C(=O)NCC1CCSCC1)c1cccs1
InChIInChI=1S/C16H18N2O2S3/c19-14(17-10-11-3-7-21-8-4-11)12-5-9-23-16(12)18-15(20)13-2-1-6-22-13/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,17,19)(H,18,20)
InChIKeyWVBXBCDCIJLIIV-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.93
Rot. Bonds5

About N-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide

N-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide (PubChem CID 75463880) has the molecular formula C16H18N2O2S3 and a molecular weight of 366.53 g/mol. Its IUPAC name is N-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
PubChem CID75463880
Molecular FormulaC16H18N2O2S3
Molecular Weight366.53 g/mol
Exact Mass366.05
IUPAC NameN-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
SMILESO=C(Nc1sccc1C(=O)NCC1CCSCC1)c1cccs1
InChIInChI=1S/C16H18N2O2S3/c19-14(17-10-11-3-7-21-8-4-11)12-5-9-23-16(12)18-15(20)13-2-1-6-22-13/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,17,19)(H,18,20)
InChIKeyWVBXBCDCIJLIIV-UHFFFAOYSA-N
XLogP3.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577
N-[(2R)-2-cyanopropyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 95979937
N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 75463775
2-bromo-N-(thian-4-ylmethyl)benzamide
CID 115625164
2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 113487602
N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide
CID 71645410
N-[3-(piperidin-3-ylmethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119462737
2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114438
N-[3-[(dimethylamino)methyl]phenyl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 75463773
2-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296385
N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide
CID 129479833
N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 97255662

Frequently Asked Questions

What is the IUPAC name of N-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The IUPAC name of N-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide (CID 75463880) is N-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide.
What is the SMILES notation for N-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The canonical SMILES for N-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide is O=C(Nc1sccc1C(=O)NCC1CCSCC1)c1cccs1.
What is the InChIKey of N-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The InChIKey is WVBXBCDCIJLIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S3/c19-14(17-10-11-3-7-21-8-4-11)12-5-9-23-16(12)18-15(20)13-2-1-6-22-13/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,17,19)(H,18,20).
What are the key properties of N-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
N-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide has a molecular weight of 366.53 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide is sourced from PubChem (CID 75463880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).