N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide

C24H26N2O4S2 — CID 95082134

IUPACN-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
SMILESCc1ccc([C@H](C)NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)c2)cc1
InChIInChI=1S/C24H26N2O4S2/c1-17-6-8-19(9-7-17)18(2)25-24(27)21-5-3-4-20(16-21)22-10-11-23(31-22)32(28,29)26-12-14-30-15-13-26/h3-11,16,18H,12-15H2,1-2H3,(H,25,27)/t18-/m0/s1
InChIKeyALPICXNYXWQZGO-SFHVURJKSA-N
MW470.62 g/mol
LogP4.24
Rot. Bonds6

About N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide

N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide (PubChem CID 95082134) has the molecular formula C24H26N2O4S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
PubChem CID95082134
Molecular FormulaC24H26N2O4S2
Molecular Weight470.62 g/mol
Exact Mass470.13
IUPAC NameN-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
SMILESCc1ccc([C@H](C)NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)c2)cc1
InChIInChI=1S/C24H26N2O4S2/c1-17-6-8-19(9-7-17)18(2)25-24(27)21-5-3-4-20(16-21)22-10-11-23(31-22)32(28,29)26-12-14-30-15-13-26/h3-11,16,18H,12-15H2,1-2H3,(H,25,27)/t18-/m0/s1
InChIKeyALPICXNYXWQZGO-SFHVURJKSA-N
XLogP4.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082109
N-[(4-methylphenyl)methyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101598
3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 95082138
N-(3-chloro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101559
4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 93486226
N-[(1S)-1-(4-methylphenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 92882379
N-[(1R)-1-(4-methylphenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 92882378
N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101444
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101562
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7733419
N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101574

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The IUPAC name of N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide (CID 95082134) is N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide.
What is the SMILES notation for N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The canonical SMILES for N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide is Cc1ccc([C@H](C)NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)c2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The InChIKey is ALPICXNYXWQZGO-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26N2O4S2/c1-17-6-8-19(9-7-17)18(2)25-24(27)21-5-3-4-20(16-21)22-10-11-23(31-22)32(28,29)26-12-14-30-15-13-26/h3-11,16,18H,12-15H2,1-2H3,(H,25,27)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide has a molecular weight of 470.62 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide is sourced from PubChem (CID 95082134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).