N-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C19H23N3O4S3 — CID 86567170

IUPACN-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCCCC2)sc1NC(=O)c1cc2c(s1)CCCC2
InChIInChI=1S/C19H23N3O4S3/c20-17(23)13-11-16(29(25,26)22-8-4-1-5-9-22)28-19(13)21-18(24)15-10-12-6-2-3-7-14(12)27-15/h10-11H,1-9H2,(H2,20,23)(H,21,24)
InChIKeyWHEZHWZWXXIQMH-UHFFFAOYSA-N
MW453.61 g/mol
LogP3.21
Rot. Bonds5

About N-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 86567170) has the molecular formula C19H23N3O4S3 and a molecular weight of 453.61 g/mol. Its IUPAC name is N-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID86567170
Molecular FormulaC19H23N3O4S3
Molecular Weight453.61 g/mol
Exact Mass453.09
IUPAC NameN-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCCCC2)sc1NC(=O)c1cc2c(s1)CCCC2
InChIInChI=1S/C19H23N3O4S3/c20-17(23)13-11-16(29(25,26)22-8-4-1-5-9-22)28-19(13)21-18(24)15-10-12-6-2-3-7-14(12)27-15/h10-11H,1-9H2,(H2,20,23)(H,21,24)
InChIKeyWHEZHWZWXXIQMH-UHFFFAOYSA-N
XLogP3.21
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorobenzoyl)amino]-5-piperidin-1-ylsulfonylthiophene-3-carboxamide
CID 86567234
N-(4-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7926337
N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7926236
N-(2-carbamoylphenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 47008398
N'-(3-piperidin-1-ylsulfonylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 26778436
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 3476722
4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 25236556
N-(2-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7947687
N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684358
N'-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 26872807
N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 9034844
methyl 5-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate
CID 19615826

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 86567170) is N-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is NC(=O)c1cc(S(=O)(=O)N2CCCCC2)sc1NC(=O)c1cc2c(s1)CCCC2.
What is the InChIKey of N-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is WHEZHWZWXXIQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S3/c20-17(23)13-11-16(29(25,26)22-8-4-1-5-9-22)28-19(13)21-18(24)15-10-12-6-2-3-7-14(12)27-15/h10-11H,1-9H2,(H2,20,23)(H,21,24).
What are the key properties of N-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 86567170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).