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

C19H23ClN4O2S — CID 51118835

IUPAC2-chloro-N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide
SMILESCN(C)C(CNC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1cccs1
InChIInChI=1S/C19H23ClN4O2S/c1-24(2)16(17-4-3-9-27-17)11-21-19(26)23-13-7-8-14(15(20)10-13)18(25)22-12-5-6-12/h3-4,7-10,12,16H,5-6,11H2,1-2H3,(H,22,25)(H2,21,23,26)
InChIKeyGODQZBNFFDDDHB-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.72
Rot. Bonds7

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

2-chloro-N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide (PubChem CID 51118835) has the molecular formula C19H23ClN4O2S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide
PubChem CID51118835
Molecular FormulaC19H23ClN4O2S
Molecular Weight406.94 g/mol
Exact Mass406.12
IUPAC Name2-chloro-N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide
SMILESCN(C)C(CNC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1cccs1
InChIInChI=1S/C19H23ClN4O2S/c1-24(2)16(17-4-3-9-27-17)11-21-19(26)23-13-7-8-14(15(20)10-13)18(25)22-12-5-6-12/h3-4,7-10,12,16H,5-6,11H2,1-2H3,(H,22,25)(H2,21,23,26)
InChIKeyGODQZBNFFDDDHB-UHFFFAOYSA-N
XLogP3.72
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 47050524
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 18588947
5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 95122907
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 30834300
3-(cyclopropylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 61274579
N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
CID 30834974
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 51944837
1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 55472238
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 51944839
2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide
CID 60543539
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]urea
CID 100853661
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 94519038

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide (CID 51118835) is 2-chloro-N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide is CN(C)C(CNC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1cccs1.
What is the InChIKey of 2-chloro-N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide?
The InChIKey is GODQZBNFFDDDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2S/c1-24(2)16(17-4-3-9-27-17)11-21-19(26)23-13-7-8-14(15(20)10-13)18(25)22-12-5-6-12/h3-4,7-10,12,16H,5-6,11H2,1-2H3,(H,22,25)(H2,21,23,26).
What are the key properties of 2-chloro-N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide?
2-chloro-N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide has a molecular weight of 406.94 g/mol, XLogP of 3.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide is sourced from PubChem (CID 51118835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).