N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide

C9H13ClN2OS — CID 81483239

IUPACN-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
SMILESCC(C)(N)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2OS/c1-9(2,11)5-12-8(13)6-3-4-7(10)14-6/h3-4H,5,11H2,1-2H3,(H,12,13)
InChIKeyLOWDQPIQSIHKES-UHFFFAOYSA-N
MW232.74 g/mol
LogP1.87
Rot. Bonds3

About N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide

N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide (PubChem CID 81483239) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
PubChem CID81483239
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC NameN-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
SMILESCC(C)(N)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2OS/c1-9(2,11)5-12-8(13)6-3-4-7(10)14-6/h3-4H,5,11H2,1-2H3,(H,12,13)
InChIKeyLOWDQPIQSIHKES-UHFFFAOYSA-N
XLogP1.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 66170632
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide
CID 103772360
5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide
CID 64991724
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004
4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 116571258
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 9480604
5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide
CID 64994287
5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane
CID 143722959
N-(2-amino-2-methylpropyl)-2,5-dichlorothiophene-3-carboxamide
CID 103807484
2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate
CID 169435764
N-[(4-aminophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62278190
N-(1-aminopropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 63733398

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide (CID 81483239) is N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide is CC(C)(N)CNC(=O)c1ccc(Cl)s1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide?
The InChIKey is LOWDQPIQSIHKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-9(2,11)5-12-8(13)6-3-4-7(10)14-6/h3-4H,5,11H2,1-2H3,(H,12,13).
What are the key properties of N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide?
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide has a molecular weight of 232.74 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 81483239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).