N-[2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C19H29N3O3S — CID 97024685

IUPACN-[2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOCCN1CCN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)C[C@H]1C
InChIInChI=1S/C19H29N3O3S/c1-14-13-22(8-7-21(14)9-10-25-2)18(23)12-20-19(24)17-11-15-5-3-4-6-16(15)26-17/h11,14H,3-10,12-13H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyBRSXJLLDVAQWND-CQSZACIVSA-N
MW379.53 g/mol
LogP1.54
Rot. Bonds6

About N-[2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-[2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 97024685) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID97024685
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOCCN1CCN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)C[C@H]1C
InChIInChI=1S/C19H29N3O3S/c1-14-13-22(8-7-21(14)9-10-25-2)18(23)12-20-19(24)17-11-15-5-3-4-6-16(15)26-17/h11,14H,3-10,12-13H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyBRSXJLLDVAQWND-CQSZACIVSA-N
XLogP1.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

(3S)-N-ethyl-1-[2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)acetyl]piperidine-3-carboxamide
CID 97028869
N-(2-chloro-3-methoxypropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114298734
5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 134026876
methyl 2-bromo-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)propanoate
CID 103492597
N-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 64997058
N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 78800338
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 51125676
N-(2-bromo-4,4-dimethylpentyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 107156476
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 18157094
N-(4-chloro-1-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 106154965
N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 39903793
N-[(2S)-2-hydroxypropyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 83030886

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 97024685) is N-[2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is COCCN1CCN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)C[C@H]1C.
What is the InChIKey of N-[2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is BRSXJLLDVAQWND-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-14-13-22(8-7-21(14)9-10-25-2)18(23)12-20-19(24)17-11-15-5-3-4-6-16(15)26-17/h11,14H,3-10,12-13H2,1-2H3,(H,20,24)/t14-/m1/s1.
What are the key properties of N-[2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-[2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 97024685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).