N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide

C16H20N2O4S2 — CID 17441202

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccsc1
InChIInChI=1S/C16H20N2O4S2/c1-18(2)24(20,21)13-5-6-15(22-3)14(10-13)17-16(19)7-4-12-8-9-23-11-12/h5-6,8-11H,4,7H2,1-3H3,(H,17,19)
InChIKeyXIMFOLVMURELCR-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.58
Rot. Bonds7

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide (PubChem CID 17441202) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide
PubChem CID17441202
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccsc1
InChIInChI=1S/C16H20N2O4S2/c1-18(2)24(20,21)13-5-6-15(22-3)14(10-13)17-16(19)7-4-12-8-9-23-11-12/h5-6,8-11H,4,7H2,1-3H3,(H,17,19)
InChIKeyXIMFOLVMURELCR-UHFFFAOYSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-thiophen-3-ylpropanamide
CID 9399939
3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 38016036
N-(5-chloro-2-methoxyphenyl)-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100658824
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide
CID 55370603
N-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33168312
methyl 2-[3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanoylamino]-4,5-dimethoxybenzoate
CID 100600934
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,3-diphenylpropanamide
CID 26205505
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226128
3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 19237299
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide
CID 100562291
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
CID 8838745
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethylbenzoate
CID 7364669

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide (CID 17441202) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccsc1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide?
The InChIKey is XIMFOLVMURELCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-18(2)24(20,21)13-5-6-15(22-3)14(10-13)17-16(19)7-4-12-8-9-23-11-12/h5-6,8-11H,4,7H2,1-3H3,(H,17,19).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide has a molecular weight of 368.48 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 17441202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).