N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

C18H23N3OS — CID 91760597

IUPACN-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILESCC(Cc1cnccn1)N(C)C(=O)c1cc2c(s1)CCCCC2
InChIInChI=1S/C18H23N3OS/c1-13(10-15-12-19-8-9-20-15)21(2)18(22)17-11-14-6-4-3-5-7-16(14)23-17/h8-9,11-13H,3-7,10H2,1-2H3
InChIKeySORKOQJWGKNJJG-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.51
Rot. Bonds4

About N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide (PubChem CID 91760597) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
PubChem CID91760597
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILESCC(Cc1cnccn1)N(C)C(=O)c1cc2c(s1)CCCCC2
InChIInChI=1S/C18H23N3OS/c1-13(10-15-12-19-8-9-20-15)21(2)18(22)17-11-14-6-4-3-5-7-16(14)23-17/h8-9,11-13H,3-7,10H2,1-2H3
InChIKeySORKOQJWGKNJJG-UHFFFAOYSA-N
XLogP3.51
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 78843956
N-(1-aminopropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119584997
N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 97145690
N,2,5-trimethyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]furan-3-carboxamide
CID 125173639
N-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 48735497
2-[propan-2-yl(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 55029054
N-methyl-2-methylsulfanyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-5-carboxamide
CID 91763567
N-(2-chloroethyl)-N-pentan-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 63398216
N-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 4061084
3-(3-methoxypyrazin-2-yl)-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)benzamide
CID 118772615
N-(2-bromoethyl)-N-pentan-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 80670550
N-butan-2-yl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 60629228

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide (CID 91760597) is N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide is CC(Cc1cnccn1)N(C)C(=O)c1cc2c(s1)CCCCC2.
What is the InChIKey of N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The InChIKey is SORKOQJWGKNJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13(10-15-12-19-8-9-20-15)21(2)18(22)17-11-14-6-4-3-5-7-16(14)23-17/h8-9,11-13H,3-7,10H2,1-2H3.
What are the key properties of N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide is sourced from PubChem (CID 91760597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).