N-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide

C22H23NO4S — CID 92769174

IUPACN-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)s2)c(OC)c1OC
InChIInChI=1S/C22H23NO4S/c1-14(15-8-6-5-7-9-15)23-22(24)19-13-12-18(28-19)16-10-11-17(25-2)21(27-4)20(16)26-3/h5-14H,1-4H3,(H,23,24)/t14-/m0/s1
InChIKeyDDWWYTAKUXBHAD-AWEZNQCLSA-N
MW397.50 g/mol
LogP4.93
Rot. Bonds7

About N-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide

N-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide (PubChem CID 92769174) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide
PubChem CID92769174
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC NameN-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)s2)c(OC)c1OC
InChIInChI=1S/C22H23NO4S/c1-14(15-8-6-5-7-9-15)23-22(24)19-13-12-18(28-19)16-10-11-17(25-2)21(27-4)20(16)26-3/h5-14H,1-4H3,(H,23,24)/t14-/m0/s1
InChIKeyDDWWYTAKUXBHAD-AWEZNQCLSA-N
XLogP4.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methylheptan-2-yl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide
CID 46083057
methyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate
CID 69292192
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 107863863
4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
3-amino-2-methoxy-N-[(1S)-1-phenylethyl]benzamide
CID 107863919
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid
CID 129054309
5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide
CID 11312803
2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
CID 51147641
5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 60674614

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide (CID 92769174) is N-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide is COc1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)s2)c(OC)c1OC.
What is the InChIKey of N-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide?
The InChIKey is DDWWYTAKUXBHAD-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-14(15-8-6-5-7-9-15)23-22(24)19-13-12-18(28-19)16-10-11-17(25-2)21(27-4)20(16)26-3/h5-14H,1-4H3,(H,23,24)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide?
N-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 92769174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).