N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide

C16H19ClN2OS — CID 62179777

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C16H19ClN2OS/c1-3-10-18-13-6-4-12(5-7-13)16(20)19(2)11-14-8-9-15(17)21-14/h4-9,18H,3,10-11H2,1-2H3
InChIKeySOKGJRVFUKTBPY-UHFFFAOYSA-N
MW322.86 g/mol
LogP4.50
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide (PubChem CID 62179777) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide
PubChem CID62179777
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C16H19ClN2OS/c1-3-10-18-13-6-4-12(5-7-13)16(20)19(2)11-14-8-9-15(17)21-14/h4-9,18H,3,10-11H2,1-2H3
InChIKeySOKGJRVFUKTBPY-UHFFFAOYSA-N
XLogP4.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615665
N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide
CID 9107610
N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 39932630
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N-methylbenzamide
CID 61116554
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62179610
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 54906056
N-(2-hydroxypropyl)-N-methyl-4-(propylamino)benzamide
CID 62335915
2-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
CID 30957750
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide
CID 9107639
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 9107741

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide (CID 62179777) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide is CCCNc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide?
The InChIKey is SOKGJRVFUKTBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-3-10-18-13-6-4-12(5-7-13)16(20)19(2)11-14-8-9-15(17)21-14/h4-9,18H,3,10-11H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide has a molecular weight of 322.86 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide is sourced from PubChem (CID 62179777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).