2-(4-methoxyphenyl)sulfonylethyl-thiophen-2-ylcarbamic acid

C14H15NO5S2 — CID 57150865

IUPAC2-(4-methoxyphenyl)sulfonylethyl-thiophen-2-ylcarbamic acid
SMILESCOc1ccc(S(=O)(=O)CCN(C(=O)O)c2cccs2)cc1
InChIInChI=1S/C14H15NO5S2/c1-20-11-4-6-12(7-5-11)22(18,19)10-8-15(14(16)17)13-3-2-9-21-13/h2-7,9H,8,10H2,1H3,(H,16,17)
InChIKeyUBXDSWXOEUOBBW-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.71
Rot. Bonds6

About 2-(4-methoxyphenyl)sulfonylethyl-thiophen-2-ylcarbamic acid

2-(4-methoxyphenyl)sulfonylethyl-thiophen-2-ylcarbamic acid (PubChem CID 57150865) has the molecular formula C14H15NO5S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonylethyl-thiophen-2-ylcarbamic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonylethyl-thiophen-2-ylcarbamic acid
PubChem CID57150865
Molecular FormulaC14H15NO5S2
Molecular Weight341.41 g/mol
Exact Mass341.04
IUPAC Name2-(4-methoxyphenyl)sulfonylethyl-thiophen-2-ylcarbamic acid
SMILESCOc1ccc(S(=O)(=O)CCN(C(=O)O)c2cccs2)cc1
InChIInChI=1S/C14H15NO5S2/c1-20-11-4-6-12(7-5-11)22(18,19)10-8-15(14(16)17)13-3-2-9-21-13/h2-7,9H,8,10H2,1H3,(H,16,17)
InChIKeyUBXDSWXOEUOBBW-UHFFFAOYSA-N
XLogP2.71
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)sulfonylpropan-1-ol
CID 18411970
(2R)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid
CID 28753247
1-methoxy-4-(3-phenylpropylsulfonyl)benzene
CID 54270820
(4-methoxy-N-thiophen-2-ylanilino) acetate
CID 175099311
N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4117512
2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine
CID 27652368
N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324457
2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
CID 10334404
methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
1-butylsulfonyl-4-methoxybenzene
CID 12696371
2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 17496506
methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate
CID 41273904

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonylethyl-thiophen-2-ylcarbamic acid?
The IUPAC name of 2-(4-methoxyphenyl)sulfonylethyl-thiophen-2-ylcarbamic acid (CID 57150865) is 2-(4-methoxyphenyl)sulfonylethyl-thiophen-2-ylcarbamic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonylethyl-thiophen-2-ylcarbamic acid?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonylethyl-thiophen-2-ylcarbamic acid is COc1ccc(S(=O)(=O)CCN(C(=O)O)c2cccs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonylethyl-thiophen-2-ylcarbamic acid?
The InChIKey is UBXDSWXOEUOBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S2/c1-20-11-4-6-12(7-5-11)22(18,19)10-8-15(14(16)17)13-3-2-9-21-13/h2-7,9H,8,10H2,1H3,(H,16,17).
What are the key properties of 2-(4-methoxyphenyl)sulfonylethyl-thiophen-2-ylcarbamic acid?
2-(4-methoxyphenyl)sulfonylethyl-thiophen-2-ylcarbamic acid has a molecular weight of 341.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonylethyl-thiophen-2-ylcarbamic acid is sourced from PubChem (CID 57150865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).