butane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane

C25H42ClN3O3S2 — CID 142208051

IUPACbutane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane
SMILESCCC.CCCC.CNCC(C)(C)CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H24ClN3O3S2.C4H10.C3H8/c1-18(2,11-20-3)12-22-27(24,25)16-9-8-15(26-16)10-21-17(23)13-4-6-14(19)7-5-13;1-3-4-2;1-3-2/h4-9,20,22H,10-12H2,1-3H3,(H,21,23);3-4H2,1-2H3;3H2,1-2H3
InChIKeyCKGMYVIKFQPGRR-UHFFFAOYSA-N
MW532.22 g/mol
LogP6.08
Rot. Bonds10

About butane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane

butane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane (PubChem CID 142208051) has the molecular formula C25H42ClN3O3S2 and a molecular weight of 532.22 g/mol. Its IUPAC name is butane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane.

Molecular Properties

Compound Namebutane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane
PubChem CID142208051
Molecular FormulaC25H42ClN3O3S2
Molecular Weight532.22 g/mol
Exact Mass531.24
IUPAC Namebutane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane
SMILESCCC.CCCC.CNCC(C)(C)CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H24ClN3O3S2.C4H10.C3H8/c1-18(2,11-20-3)12-22-27(24,25)16-9-8-15(26-16)10-21-17(23)13-4-6-14(19)7-5-13;1-3-4-2;1-3-2/h4-9,20,22H,10-12H2,1-3H3,(H,21,23);3-4H2,1-2H3;3H2,1-2H3
InChIKeyCKGMYVIKFQPGRR-UHFFFAOYSA-N
XLogP6.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.22
LogP ≤ 56.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze butane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane with MolForge

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Related Compounds

4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide
CID 10227995
4-chloro-N-[[5-[[6-[3-[4-[3-(ethylamino)propylamino]butylamino]propylamino]-6-oxohexyl]sulfamoyl]thiophen-2-yl]methyl]benzamide
CID 70805774
N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119988458
butane;4-chloro-N-[(5-dimethylsulfinamoylthiophen-2-yl)methyl]benzamide;ethane;N-methylethanamine
CID 142208053
N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106023200
5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid
CID 11392290
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide
CID 24598621
5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363004
5-[[(4-bromobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363006
N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide
CID 115271137
3,5-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242455
N-[[5-(phenylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2823706

Frequently Asked Questions

What is the IUPAC name of butane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane?
The IUPAC name of butane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane (CID 142208051) is butane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane.
What is the SMILES notation for butane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane?
The canonical SMILES for butane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane is CCC.CCCC.CNCC(C)(C)CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of butane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane?
The InChIKey is CKGMYVIKFQPGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3S2.C4H10.C3H8/c1-18(2,11-20-3)12-22-27(24,25)16-9-8-15(26-16)10-21-17(23)13-4-6-14(19)7-5-13;1-3-4-2;1-3-2/h4-9,20,22H,10-12H2,1-3H3,(H,21,23);3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of butane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane?
butane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane has a molecular weight of 532.22 g/mol, XLogP of 6.08, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane is sourced from PubChem (CID 142208051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).