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

C16H20N4O2S — CID 46593287

IUPAC4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccc(NC(N)=O)cc1)c1ccsc1
InChIInChI=1S/C16H20N4O2S/c1-20(2)14(12-7-8-23-10-12)9-18-15(21)11-3-5-13(6-4-11)19-16(17)22/h3-8,10,14H,9H2,1-2H3,(H,18,21)(H3,17,19,22)
InChIKeyOQNOKBWBPCWUJE-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.27
Rot. Bonds6

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

4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide (PubChem CID 46593287) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
PubChem CID46593287
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccc(NC(N)=O)cc1)c1ccsc1
InChIInChI=1S/C16H20N4O2S/c1-20(2)14(12-7-8-23-10-12)9-18-15(21)11-3-5-13(6-4-11)19-16(17)22/h3-8,10,14H,9H2,1-2H3,(H,18,21)(H3,17,19,22)
InChIKeyOQNOKBWBPCWUJE-UHFFFAOYSA-N
XLogP2.27
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 32630712
4-(carbamoylamino)-N-(2-methylpropyl)benzamide
CID 47106060
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 32635881
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide
CID 43060793
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-bis(trifluoromethyl)benzamide
CID 32631322
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 119850709
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide
CID 46446841

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide?
The IUPAC name of 4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide (CID 46593287) is 4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide is CN(C)C(CNC(=O)c1ccc(NC(N)=O)cc1)c1ccsc1.
What is the InChIKey of 4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide?
The InChIKey is OQNOKBWBPCWUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-20(2)14(12-7-8-23-10-12)9-18-15(21)11-3-5-13(6-4-11)19-16(17)22/h3-8,10,14H,9H2,1-2H3,(H,18,21)(H3,17,19,22).
What are the key properties of 4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide?
4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide is sourced from PubChem (CID 46593287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).