N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide

C18H25N3O3S2 — CID 43060793

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccsc1
InChIInChI=1S/C18H25N3O3S2/c1-21(2)17(16-9-11-25-13-16)12-19-18(22)15-6-4-14(5-7-15)8-10-20-26(3,23)24/h4-7,9,11,13,17,20H,8,10,12H2,1-3H3,(H,19,22)
InChIKeyJHWIRDPHHZFEJV-UHFFFAOYSA-N
MW395.55 g/mol
LogP1.87
Rot. Bonds9

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide (PubChem CID 43060793) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide
PubChem CID43060793
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccsc1
InChIInChI=1S/C18H25N3O3S2/c1-21(2)17(16-9-11-25-13-16)12-19-18(22)15-6-4-14(5-7-15)8-10-20-26(3,23)24/h4-7,9,11,13,17,20H,8,10,12H2,1-3H3,(H,19,22)
InChIKeyJHWIRDPHHZFEJV-UHFFFAOYSA-N
XLogP1.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
CID 16931137
4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 46593287
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
4-[2-(methanesulfonamido)ethyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 27017885
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 32634705
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 32630712
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylsulfonylbenzamide
CID 33090690
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-bis(trifluoromethyl)benzamide
CID 32631322
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931154
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide
CID 32633181

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide (CID 43060793) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide is CN(C)C(CNC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccsc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide?
The InChIKey is JHWIRDPHHZFEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-21(2)17(16-9-11-25-13-16)12-19-18(22)15-6-4-14(5-7-15)8-10-20-26(3,23)24/h4-7,9,11,13,17,20H,8,10,12H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide has a molecular weight of 395.55 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide is sourced from PubChem (CID 43060793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).