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

C19H30N2O2S — CID 42919476

IUPACN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)c2cc3c(s2)CCCCC3)C1
InChIInChI=1S/C19H30N2O2S/c1-14(2)12-21-8-9-23-16(13-21)11-20-19(22)18-10-15-6-4-3-5-7-17(15)24-18/h10,14,16H,3-9,11-13H2,1-2H3,(H,20,22)
InChIKeyABVVEXIVFVENAK-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.10
Rot. Bonds5

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

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide (PubChem CID 42919476) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
PubChem CID42919476
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)c2cc3c(s2)CCCCC3)C1
InChIInChI=1S/C19H30N2O2S/c1-14(2)12-21-8-9-23-16(13-21)11-20-19(22)18-10-15-6-4-3-5-7-17(15)24-18/h10,14,16H,3-9,11-13H2,1-2H3,(H,20,22)
InChIKeyABVVEXIVFVENAK-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
N-(morpholin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 115323761
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 39485294
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 35361039
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642416
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-nitrobenzamide
CID 42887586
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51074161
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazine-2-carboxamide
CID 30538165
2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
CID 35365780

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide (CID 42919476) is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide is CC(C)CN1CCOC(CNC(=O)c2cc3c(s2)CCCCC3)C1.
What is the InChIKey of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The InChIKey is ABVVEXIVFVENAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-14(2)12-21-8-9-23-16(13-21)11-20-19(22)18-10-15-6-4-3-5-7-17(15)24-18/h10,14,16H,3-9,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide has a molecular weight of 350.53 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide is sourced from PubChem (CID 42919476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).