N,N-dimethyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C16H18N2O2S2 — CID 806204

IUPACN,N-dimethyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCN(C)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2
InChIInChI=1S/C16H18N2O2S2/c1-18(2)16(20)13-10-6-3-4-7-11(10)22-15(13)17-14(19)12-8-5-9-21-12/h5,8-9H,3-4,6-7H2,1-2H3,(H,17,19)
InChIKeyALPYHUFEAYFCAW-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.64
Rot. Bonds3

About N,N-dimethyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N,N-dimethyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 806204) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is N,N-dimethyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID806204
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC NameN,N-dimethyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCN(C)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2
InChIInChI=1S/C16H18N2O2S2/c1-18(2)16(20)13-10-6-3-4-7-11(10)22-15(13)17-14(19)12-8-5-9-21-12/h5,8-9H,3-4,6-7H2,1-2H3,(H,17,19)
InChIKeyALPYHUFEAYFCAW-UHFFFAOYSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 806204) is N,N-dimethyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CN(C)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2.
What is the InChIKey of N,N-dimethyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is ALPYHUFEAYFCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c1-18(2)16(20)13-10-6-3-4-7-11(10)22-15(13)17-14(19)12-8-5-9-21-12/h5,8-9H,3-4,6-7H2,1-2H3,(H,17,19).
What are the key properties of N,N-dimethyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N,N-dimethyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 806204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).