N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide

C18H24N4O2S — CID 55745225

IUPACN-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(NC(=O)NCC(c2ccsc2)N(C)C)ccc1C
InChIInChI=1S/C18H24N4O2S/c1-12-5-6-15(9-16(12)20-13(2)23)21-18(24)19-10-17(22(3)4)14-7-8-25-11-14/h5-9,11,17H,10H2,1-4H3,(H,20,23)(H2,19,21,24)
InChIKeyQXQYVMAGNWCAHP-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.44
Rot. Bonds6

About N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide

N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide (PubChem CID 55745225) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide
PubChem CID55745225
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(NC(=O)NCC(c2ccsc2)N(C)C)ccc1C
InChIInChI=1S/C18H24N4O2S/c1-12-5-6-15(9-16(12)20-13(2)23)21-18(24)19-10-17(22(3)4)14-7-8-25-11-14/h5-9,11,17H,10H2,1-4H3,(H,20,23)(H2,19,21,24)
InChIKeyQXQYVMAGNWCAHP-UHFFFAOYSA-N
XLogP3.44
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 47041698
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095
N-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide
CID 125157933
1-(1,3-benzodioxol-5-yl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30606295
1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30606334
2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide
CID 51116703
1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30606344
1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 51896387
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 51946045
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 42549056
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide (CID 55745225) is N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide is CC(=O)Nc1cc(NC(=O)NCC(c2ccsc2)N(C)C)ccc1C.
What is the InChIKey of N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide?
The InChIKey is QXQYVMAGNWCAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-12-5-6-15(9-16(12)20-13(2)23)21-18(24)19-10-17(22(3)4)14-7-8-25-11-14/h5-9,11,17H,10H2,1-4H3,(H,20,23)(H2,19,21,24).
What are the key properties of N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide?
N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide has a molecular weight of 360.48 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 55745225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).