N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

C20H25N3O2S — CID 55651288

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NCC(c2ccsc2)N(C)C)c1
InChIInChI=1S/C20H25N3O2S/c1-13-9-17(13)20(25)22-16-6-4-5-14(10-16)19(24)21-11-18(23(2)3)15-7-8-26-12-15/h4-8,10,12-13,17-18H,9,11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyKCSCJPFQIUXMKO-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.38
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 55651288) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID55651288
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NCC(c2ccsc2)N(C)C)c1
InChIInChI=1S/C20H25N3O2S/c1-13-9-17(13)20(25)22-16-6-4-5-14(10-16)19(24)21-11-18(23(2)3)15-7-8-26-12-15/h4-8,10,12-13,17-18H,9,11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyKCSCJPFQIUXMKO-UHFFFAOYSA-N
XLogP3.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120827773
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide
CID 43060765
3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 98727874
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230301
3-acetamido-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42910974
4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 46593287
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-N'-(3-fluorophenyl)oxamide
CID 40847938

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 55651288) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is CC1CC1C(=O)Nc1cccc(C(=O)NCC(c2ccsc2)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is KCSCJPFQIUXMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-13-9-17(13)20(25)22-16-6-4-5-14(10-16)19(24)21-11-18(23(2)3)15-7-8-26-12-15/h4-8,10,12-13,17-18H,9,11H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 371.51 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 55651288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).