N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide

C22H22N2O3S3 — CID 10151681

IUPACN-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide
SMILESO=C(Cc1cscc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1)N1CCSCC1
InChIInChI=1S/C22H22N2O3S3/c25-22(24-10-12-28-13-11-24)14-19-15-29-16-21(19)23-30(26,27)20-8-6-18(7-9-20)17-4-2-1-3-5-17/h1-9,15-16,23H,10-14H2
InChIKeyNQYZWIMVDAFZJW-UHFFFAOYSA-N
MW458.63 g/mol
LogP4.33
Rot. Bonds6

About N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide

N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide (PubChem CID 10151681) has the molecular formula C22H22N2O3S3 and a molecular weight of 458.63 g/mol. Its IUPAC name is N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide
PubChem CID10151681
Molecular FormulaC22H22N2O3S3
Molecular Weight458.63 g/mol
Exact Mass458.08
IUPAC NameN-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide
SMILESO=C(Cc1cscc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1)N1CCSCC1
InChIInChI=1S/C22H22N2O3S3/c25-22(24-10-12-28-13-11-24)14-19-15-29-16-21(19)23-30(26,27)20-8-6-18(7-9-20)17-4-2-1-3-5-17/h1-9,15-16,23H,10-14H2
InChIKeyNQYZWIMVDAFZJW-UHFFFAOYSA-N
XLogP4.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.63
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide
CID 11294744
N-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide
CID 10173201
4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide
CID 10237527
4-(benzenesulfonamido)thiophene-3-carboxylic acid
CID 70120734
2-[2-(aminomethyl)phenyl]-1-thiomorpholin-4-ylethanone
CID 81318157
N-[5-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-4-propylbenzenesulfonamide
CID 10224344
1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 102563725
1-(azepan-1-yl)-3-(4-phenylphenyl)sulfonylpropan-1-one
CID 110675677
2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide
CID 10127500
3-phenyl-3-[[4-[3-(thiomorpholine-4-carbonylamino)phenyl]phenyl]sulfonylamino]propanoic acid
CID 21043153
2-[(4-phenylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 68866403
4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide
CID 11719465

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide (CID 10151681) is N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide is O=C(Cc1cscc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1)N1CCSCC1.
What is the InChIKey of N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide?
The InChIKey is NQYZWIMVDAFZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S3/c25-22(24-10-12-28-13-11-24)14-19-15-29-16-21(19)23-30(26,27)20-8-6-18(7-9-20)17-4-2-1-3-5-17/h1-9,15-16,23H,10-14H2.
What are the key properties of N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide?
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide has a molecular weight of 458.63 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 10151681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).