2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide

C15H22N2OS — CID 119803404

IUPAC2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
SMILESCc1c(NC(=O)CNCC2CC2)sc2c1CCCC2
InChIInChI=1S/C15H22N2OS/c1-10-12-4-2-3-5-13(12)19-15(10)17-14(18)9-16-8-11-6-7-11/h11,16H,2-9H2,1H3,(H,17,18)
InChIKeyUBLCOPYDXSBZMK-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.87
Rot. Bonds5

About 2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide

2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide (PubChem CID 119803404) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
PubChem CID119803404
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
SMILESCc1c(NC(=O)CNCC2CC2)sc2c1CCCC2
InChIInChI=1S/C15H22N2OS/c1-10-12-4-2-3-5-13(12)19-15(10)17-14(18)9-16-8-11-6-7-11/h11,16H,2-9H2,1H3,(H,17,18)
InChIKeyUBLCOPYDXSBZMK-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
CID 120593339
4-amino-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride
CID 120563386
N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrolidine-2-carboxamide
CID 119334902
N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide
CID 119334886
N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide
CID 99812976
(2S,5R)-5-(aminomethyl)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120794901
ethyl 2-[[2-(propylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2792198
2-amino-3-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide
CID 119803418
ethyl 2-[(2-cyclopentylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 46094929
(2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide
CID 119803436
formaldehyde;2-methyl-1-(methylamino)propan-2-ol;N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
CID 153377087
N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(6-oxo-1H-pyridin-3-yl)propanamide
CID 136537592

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide (CID 119803404) is 2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide is Cc1c(NC(=O)CNCC2CC2)sc2c1CCCC2.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
The InChIKey is UBLCOPYDXSBZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-12-4-2-3-5-13(12)19-15(10)17-14(18)9-16-8-11-6-7-11/h11,16H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide has a molecular weight of 278.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide is sourced from PubChem (CID 119803404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).