5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide

C16H19ClN2OS — CID 62170551

IUPAC5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NC(C)c1cccs1
InChIInChI=1S/C16H19ClN2OS/c1-3-8-18-14-7-6-12(17)10-13(14)16(20)19-11(2)15-5-4-9-21-15/h4-7,9-11,18H,3,8H2,1-2H3,(H,19,20)
InChIKeyCYFPYFUKWAFSON-UHFFFAOYSA-N
MW322.86 g/mol
LogP4.71
Rot. Bonds6

About 5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide

5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 62170551) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID62170551
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NC(C)c1cccs1
InChIInChI=1S/C16H19ClN2OS/c1-3-8-18-14-7-6-12(17)10-13(14)16(20)19-11(2)15-5-4-9-21-15/h4-7,9-11,18H,3,8H2,1-2H3,(H,19,20)
InChIKeyCYFPYFUKWAFSON-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55042381
3-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 105068619
5-chloro-N-[1-(dimethylamino)propan-2-yl]-2-(propylamino)benzamide
CID 82949522
5-chloro-N-hexan-3-yl-2-(propylamino)benzamide
CID 63498965
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884
5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide
CID 62177457
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
CID 104765587
5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 62170333
1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea
CID 17181621
4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 43398740

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide (CID 62170551) is 5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide is CCCNc1ccc(Cl)cc1C(=O)NC(C)c1cccs1.
What is the InChIKey of 5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is CYFPYFUKWAFSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-3-8-18-14-7-6-12(17)10-13(14)16(20)19-11(2)15-5-4-9-21-15/h4-7,9-11,18H,3,8H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide?
5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 322.86 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 62170551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).