(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide

C22H26N2O2S — CID 18161802

IUPAC(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)NCC(c3cccs3)N(C)C)ccc2c1
InChIInChI=1S/C22H26N2O2S/c1-15(16-7-8-18-13-19(26-4)10-9-17(18)12-16)22(25)23-14-20(24(2)3)21-6-5-11-27-21/h5-13,15,20H,14H2,1-4H3,(H,23,25)/t15-,20?/m0/s1
InChIKeySFLZFDDYDKCCOC-OOJLDXBWSA-N
MW382.53 g/mol
LogP4.43
Rot. Bonds7

About (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide

(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 18161802) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID18161802
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)NCC(c3cccs3)N(C)C)ccc2c1
InChIInChI=1S/C22H26N2O2S/c1-15(16-7-8-18-13-19(26-4)10-9-17(18)12-16)22(25)23-14-20(24(2)3)21-6-5-11-27-21/h5-13,15,20H,14H2,1-4H3,(H,23,25)/t15-,20?/m0/s1
InChIKeySFLZFDDYDKCCOC-OOJLDXBWSA-N
XLogP4.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(6-methoxynaphthalen-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 27770310
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
CID 61251162
(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324
(S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine
CID 171199401
(E)-3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]prop-2-enamide
CID 18169474
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide
CID 55719688
N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 119505947
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17016099
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110302420

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide (CID 18161802) is (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc([C@H](C)C(=O)NCC(c3cccs3)N(C)C)ccc2c1.
What is the InChIKey of (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is SFLZFDDYDKCCOC-OOJLDXBWSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-15(16-7-8-18-13-19(26-4)10-9-17(18)12-16)22(25)23-14-20(24(2)3)21-6-5-11-27-21/h5-13,15,20H,14H2,1-4H3,(H,23,25)/t15-,20?/m0/s1.
What are the key properties of (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 382.53 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 18161802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).