3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide

C15H22N2O2S — CID 115711938

IUPAC3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC1CCSc2ccccc21
InChIInChI=1S/C15H22N2O2S/c1-19-10-9-17-15(18)6-8-16-13-7-11-20-14-5-3-2-4-12(13)14/h2-5,13,16H,6-11H2,1H3,(H,17,18)
InChIKeyLDJDZPYUZGEDLM-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.97
Rot. Bonds7

About 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide

3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide (PubChem CID 115711938) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide
PubChem CID115711938
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC1CCSc2ccccc21
InChIInChI=1S/C15H22N2O2S/c1-19-10-9-17-15(18)6-8-16-13-7-11-20-14-5-3-2-4-12(13)14/h2-5,13,16H,6-11H2,1H3,(H,17,18)
InChIKeyLDJDZPYUZGEDLM-UHFFFAOYSA-N
XLogP1.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 115712000
2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide
CID 113259968
1-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 51935223
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide
CID 60854166
1-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 51935191
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide
CID 115711983
N-[2-(4-methoxyphenoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 112800989
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 42952555
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-(2-methoxyethyl)-1,4-diazepane-1-carboxamide
CID 95132058
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(2-methylphenoxy)propanamide
CID 25442457
3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-1-methoxypropan-2-yl]-1-methylurea
CID 97311689

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide (CID 115711938) is 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNC1CCSc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide?
The InChIKey is LDJDZPYUZGEDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-19-10-9-17-15(18)6-8-16-13-7-11-20-14-5-3-2-4-12(13)14/h2-5,13,16H,6-11H2,1H3,(H,17,18).
What are the key properties of 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide?
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide has a molecular weight of 294.42 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115711938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).