(2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide

C23H23NO2S — CID 24547789

IUPAC(2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)NC3CCSc4ccccc43)ccc2c1
InChIInChI=1S/C23H23NO2S/c1-15(16-7-8-18-14-19(26-2)10-9-17(18)13-16)23(25)24-21-11-12-27-22-6-4-3-5-20(21)22/h3-10,13-15,21H,11-12H2,1-2H3,(H,24,25)/t15-,21?/m0/s1
InChIKeyYBCKEMWSRPSBGG-ZDGMYTEDSA-N
MW377.51 g/mol
LogP5.31
Rot. Bonds4

About (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide

(2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 24547789) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID24547789
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Name(2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)NC3CCSc4ccccc43)ccc2c1
InChIInChI=1S/C23H23NO2S/c1-15(16-7-8-18-14-19(26-2)10-9-17(18)13-16)23(25)24-21-11-12-27-22-6-4-3-5-20(21)22/h3-10,13-15,21H,11-12H2,1-2H3,(H,24,25)/t15-,21?/m0/s1
InChIKeyYBCKEMWSRPSBGG-ZDGMYTEDSA-N
XLogP5.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-methoxycyclohexyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 163313623
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 107903329
N-[1-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43740236
(2S)-2-(4-acetylphenoxy)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]propanamide
CID 41037695
(2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide
CID 166219335
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methyl-3-phenylsulfanylpropanamide
CID 86933647
1-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 51935223
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 42952530
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide
CID 104897215
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 79024984
1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 118779854

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide (CID 24547789) is (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc([C@H](C)C(=O)NC3CCSc4ccccc43)ccc2c1.
What is the InChIKey of (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is YBCKEMWSRPSBGG-ZDGMYTEDSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-15(16-7-8-18-14-19(26-2)10-9-17(18)13-16)23(25)24-21-11-12-27-22-6-4-3-5-20(21)22/h3-10,13-15,21H,11-12H2,1-2H3,(H,24,25)/t15-,21?/m0/s1.
What are the key properties of (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide?
(2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 377.51 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 24547789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).