N-[5-methyl-3-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide

C17H25NOS — CID 146284606

IUPACN-[5-methyl-3-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
SMILESCC(C)Cc1c(NC(=O)C2CC2)sc2c1CC(C)CC2
InChIInChI=1S/C17H25NOS/c1-10(2)8-14-13-9-11(3)4-7-15(13)20-17(14)18-16(19)12-5-6-12/h10-12H,4-9H2,1-3H3,(H,18,19)
InChIKeyCBSWDRNAXVRYCQ-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.42
Rot. Bonds4

About N-[5-methyl-3-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide

N-[5-methyl-3-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide (PubChem CID 146284606) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[5-methyl-3-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-methyl-3-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
PubChem CID146284606
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC NameN-[5-methyl-3-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
SMILESCC(C)Cc1c(NC(=O)C2CC2)sc2c1CC(C)CC2
InChIInChI=1S/C17H25NOS/c1-10(2)8-14-13-9-11(3)4-7-15(13)20-17(14)18-16(19)12-5-6-12/h10-12H,4-9H2,1-3H3,(H,18,19)
InChIKeyCBSWDRNAXVRYCQ-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclohexanecarboxamide
CID 3417750
N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
CID 673484
(5R)-5-methyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7090873
N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide
CID 899066
ethyl 2-(cyclopentanecarbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4232836
5-amino-2-(cyclopropanecarbonylamino)-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 153377127
ethyl (5S)-5-methyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 930585
N-[5-[1-(ethylamino)ethenyl]-3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
CID 166003698
N-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
CID 146278566
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]butanamide
CID 7091987
methyl 5-amino-2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 146284326

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-3-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-methyl-3-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide (CID 146284606) is N-[5-methyl-3-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-methyl-3-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-methyl-3-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide is CC(C)Cc1c(NC(=O)C2CC2)sc2c1CC(C)CC2.
What is the InChIKey of N-[5-methyl-3-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is CBSWDRNAXVRYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-10(2)8-14-13-9-11(3)4-7-15(13)20-17(14)18-16(19)12-5-6-12/h10-12H,4-9H2,1-3H3,(H,18,19).
What are the key properties of N-[5-methyl-3-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide?
N-[5-methyl-3-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 291.46 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-3-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146284606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).