2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide

C10H12Cl2N2OS — CID 103806352

IUPAC2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCC1CCCN1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H12Cl2N2OS/c11-8-4-7(9(12)16-8)10(15)14-5-6-2-1-3-13-6/h4,6,13H,1-3,5H2,(H,14,15)
InChIKeyKTNPBMYELDTYAD-UHFFFAOYSA-N
MW279.19 g/mol
LogP2.54
Rot. Bonds3

About 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide

2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide (PubChem CID 103806352) has the molecular formula C10H12Cl2N2OS and a molecular weight of 279.19 g/mol. Its IUPAC name is 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
PubChem CID103806352
Molecular FormulaC10H12Cl2N2OS
Molecular Weight279.19 g/mol
Exact Mass278.00
IUPAC Name2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCC1CCCN1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H12Cl2N2OS/c11-8-4-7(9(12)16-8)10(15)14-5-6-2-1-3-13-6/h4,6,13H,1-3,5H2,(H,14,15)
InChIKeyKTNPBMYELDTYAD-UHFFFAOYSA-N
XLogP2.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 103805410
2,5-dichloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-3-carboxamide
CID 107966085
4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514202
2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806355
N-[(2-bromocyclohexyl)methyl]-2,5-dichlorothiophene-3-carboxamide
CID 107966136
2,5-dichloro-N-(2-methylpiperidin-3-yl)thiophene-3-carboxamide
CID 106813442
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
2,4-dichloro-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511689
2-chloro-5-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62539858
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
CID 119974225
4,5-difluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119510965
2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542167

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide (CID 103806352) is 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide is O=C(NCC1CCCN1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide?
The InChIKey is KTNPBMYELDTYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2OS/c11-8-4-7(9(12)16-8)10(15)14-5-6-2-1-3-13-6/h4,6,13H,1-3,5H2,(H,14,15).
What are the key properties of 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide?
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide has a molecular weight of 279.19 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 103806352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).