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

C24H26N2O4S2 — CID 95082109

IUPACN-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)cc1
InChIInChI=1S/C24H26N2O4S2/c1-17-3-5-19(6-4-17)18(2)25-24(27)21-9-7-20(8-10-21)22-11-12-23(31-22)32(28,29)26-13-15-30-16-14-26/h3-12,18H,13-16H2,1-2H3,(H,25,27)/t18-/m1/s1
InChIKeyDVBUWDJYSBDMKE-GOSISDBHSA-N
MW470.62 g/mol
LogP4.24
Rot. Bonds6

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

N-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide (PubChem CID 95082109) has the molecular formula C24H26N2O4S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
PubChem CID95082109
Molecular FormulaC24H26N2O4S2
Molecular Weight470.62 g/mol
Exact Mass470.13
IUPAC NameN-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)cc1
InChIInChI=1S/C24H26N2O4S2/c1-17-3-5-19(6-4-17)18(2)25-24(27)21-9-7-20(8-10-21)22-11-12-23(31-22)32(28,29)26-13-15-30-16-14-26/h3-12,18H,13-16H2,1-2H3,(H,25,27)/t18-/m1/s1
InChIKeyDVBUWDJYSBDMKE-GOSISDBHSA-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-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082134
N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101444
N-propan-2-yl-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101331
4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 93486226
N-[(1R)-1-(4-methylphenyl)ethyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 38000089
N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101450
N-[(4-methylphenyl)methyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101598
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100678969
3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 95082138
N-(1,3-benzodioxol-5-yl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101425
N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101455
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082114

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide (CID 95082109) is N-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide is Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
The InChIKey is DVBUWDJYSBDMKE-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26N2O4S2/c1-17-3-5-19(6-4-17)18(2)25-24(27)21-9-7-20(8-10-21)22-11-12-23(31-22)32(28,29)26-13-15-30-16-14-26/h3-12,18H,13-16H2,1-2H3,(H,25,27)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide?
N-[(1R)-1-(4-methylphenyl)ethyl]-4-(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-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide is sourced from PubChem (CID 95082109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).