N-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide

C18H24N2O3S2 — CID 46533734

IUPACN-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc(CCNS(C)(=O)=O)s1
InChIInChI=1S/C18H24N2O3S2/c1-3-13-20(14-15-7-5-4-6-8-15)18(21)17-10-9-16(24-17)11-12-19-25(2,22)23/h4-10,19H,3,11-14H2,1-2H3
InChIKeyNVUFUIGYTSLGSN-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.89
Rot. Bonds9

About N-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide

N-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide (PubChem CID 46533734) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide
PubChem CID46533734
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC NameN-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc(CCNS(C)(=O)=O)s1
InChIInChI=1S/C18H24N2O3S2/c1-3-13-20(14-15-7-5-4-6-8-15)18(21)17-10-9-16(24-17)11-12-19-25(2,22)23/h4-10,19H,3,11-14H2,1-2H3
InChIKeyNVUFUIGYTSLGSN-UHFFFAOYSA-N
XLogP2.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride
CID 120886799
N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide
CID 107365501
2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid
CID 119353163
N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide
CID 78781600
N,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide
CID 34220105
N-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide
CID 27007642
5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 27006016
5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 33248716
[1-(N-methylanilino)-1-oxopropan-2-yl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate
CID 46645787
N-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide
CID 80625347
5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide
CID 53124472
N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028436

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide?
The IUPAC name of N-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide (CID 46533734) is N-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide is CCCN(Cc1ccccc1)C(=O)c1ccc(CCNS(C)(=O)=O)s1.
What is the InChIKey of N-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide?
The InChIKey is NVUFUIGYTSLGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-3-13-20(14-15-7-5-4-6-8-15)18(21)17-10-9-16(24-17)11-12-19-25(2,22)23/h4-10,19H,3,11-14H2,1-2H3.
What are the key properties of N-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide?
N-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 46533734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).