N-[3-[bis(thiophen-2-ylmethyl)sulfamoyl]propyl]-3-(thiophen-2-ylmethyl)thiophene-2-sulfonamide

C22H24N2O4S6 — CID 118620774

IUPACN-[3-[bis(thiophen-2-ylmethyl)sulfamoyl]propyl]-3-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCS(=O)(=O)N(Cc1cccs1)Cc1cccs1)c1sccc1Cc1cccs1
InChIInChI=1S/C22H24N2O4S6/c25-33(26,24(16-20-6-2-11-30-20)17-21-7-3-12-31-21)14-4-9-23-34(27,28)22-18(8-13-32-22)15-19-5-1-10-29-19/h1-3,5-8,10-13,23H,4,9,14-17H2
InChIKeyZAQMQZLIKTWPSZ-UHFFFAOYSA-N
MW572.85 g/mol
LogP5.22
Rot. Bonds13

About N-[3-[bis(thiophen-2-ylmethyl)sulfamoyl]propyl]-3-(thiophen-2-ylmethyl)thiophene-2-sulfonamide

N-[3-[bis(thiophen-2-ylmethyl)sulfamoyl]propyl]-3-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 118620774) has the molecular formula C22H24N2O4S6 and a molecular weight of 572.85 g/mol. Its IUPAC name is N-[3-[bis(thiophen-2-ylmethyl)sulfamoyl]propyl]-3-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[bis(thiophen-2-ylmethyl)sulfamoyl]propyl]-3-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID118620774
Molecular FormulaC22H24N2O4S6
Molecular Weight572.85 g/mol
Exact Mass572.01
IUPAC NameN-[3-[bis(thiophen-2-ylmethyl)sulfamoyl]propyl]-3-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCS(=O)(=O)N(Cc1cccs1)Cc1cccs1)c1sccc1Cc1cccs1
InChIInChI=1S/C22H24N2O4S6/c25-33(26,24(16-20-6-2-11-30-20)17-21-7-3-12-31-21)14-4-9-23-34(27,28)22-18(8-13-32-22)15-19-5-1-10-29-19/h1-3,5-8,10-13,23H,4,9,14-17H2
InChIKeyZAQMQZLIKTWPSZ-UHFFFAOYSA-N
XLogP5.22
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.85
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide
CID 116815238
N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide
CID 54972047
2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene
CID 112684189
N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
CID 119964955
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
CID 60952712
N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine
CID 107757361
2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide
CID 51331024
4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid
CID 43362034
3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 119964647
3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 65092881
2-[2-(dimethylsulfamoylamino)ethyl]thiophene
CID 35309368

Frequently Asked Questions

What is the IUPAC name of N-[3-[bis(thiophen-2-ylmethyl)sulfamoyl]propyl]-3-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[3-[bis(thiophen-2-ylmethyl)sulfamoyl]propyl]-3-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (CID 118620774) is N-[3-[bis(thiophen-2-ylmethyl)sulfamoyl]propyl]-3-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[bis(thiophen-2-ylmethyl)sulfamoyl]propyl]-3-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[bis(thiophen-2-ylmethyl)sulfamoyl]propyl]-3-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCCCS(=O)(=O)N(Cc1cccs1)Cc1cccs1)c1sccc1Cc1cccs1.
What is the InChIKey of N-[3-[bis(thiophen-2-ylmethyl)sulfamoyl]propyl]-3-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is ZAQMQZLIKTWPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S6/c25-33(26,24(16-20-6-2-11-30-20)17-21-7-3-12-31-21)14-4-9-23-34(27,28)22-18(8-13-32-22)15-19-5-1-10-29-19/h1-3,5-8,10-13,23H,4,9,14-17H2.
What are the key properties of N-[3-[bis(thiophen-2-ylmethyl)sulfamoyl]propyl]-3-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
N-[3-[bis(thiophen-2-ylmethyl)sulfamoyl]propyl]-3-(thiophen-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 572.85 g/mol, XLogP of 5.22, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(thiophen-2-ylmethyl)sulfamoyl]propyl]-3-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 118620774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).