2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide

C19H26N4O2S — CID 51116703

IUPAC2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(NC(=O)NCC(c2ccsc2)N(C)C)cc1
InChIInChI=1S/C19H26N4O2S/c1-22(2)17(15-9-10-26-13-15)12-20-19(25)21-16-7-5-14(6-8-16)11-18(24)23(3)4/h5-10,13,17H,11-12H2,1-4H3,(H2,20,21,25)
InChIKeyMRWQJXMHAXMSMK-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.80
Rot. Bonds7

About 2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide

2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide (PubChem CID 51116703) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide
PubChem CID51116703
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(NC(=O)NCC(c2ccsc2)N(C)C)cc1
InChIInChI=1S/C19H26N4O2S/c1-22(2)17(15-9-10-26-13-15)12-20-19(25)21-16-7-5-14(6-8-16)11-18(24)23(3)4/h5-10,13,17H,11-12H2,1-4H3,(H2,20,21,25)
InChIKeyMRWQJXMHAXMSMK-UHFFFAOYSA-N
XLogP2.80
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095
1-(1,3-benzodioxol-5-yl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30606295
1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30606344
1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30606334
N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide
CID 55745225
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea
CID 30606373
1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 51896387
4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 46593287
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 47024523
2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 32632483
N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide
CID 16932111

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide (CID 51116703) is 2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(NC(=O)NCC(c2ccsc2)N(C)C)cc1.
What is the InChIKey of 2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide?
The InChIKey is MRWQJXMHAXMSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-22(2)17(15-9-10-26-13-15)12-20-19(25)21-16-7-5-14(6-8-16)11-18(24)23(3)4/h5-10,13,17H,11-12H2,1-4H3,(H2,20,21,25).
What are the key properties of 2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide?
2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide has a molecular weight of 374.51 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 51116703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).