N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide

C16H20N2OS — CID 119531080

IUPACN-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide
SMILESCCCN(C(=O)c1ccc2sccc2c1)C1CCNC1
InChIInChI=1S/C16H20N2OS/c1-2-8-18(14-5-7-17-11-14)16(19)13-3-4-15-12(10-13)6-9-20-15/h3-4,6,9-10,14,17H,2,5,7-8,11H2,1H3
InChIKeyMWZAGJIIAZDOHA-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.12
Rot. Bonds4

About N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide

N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide (PubChem CID 119531080) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide
PubChem CID119531080
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide
SMILESCCCN(C(=O)c1ccc2sccc2c1)C1CCNC1
InChIInChI=1S/C16H20N2OS/c1-2-8-18(14-5-7-17-11-14)16(19)13-3-4-15-12(10-13)6-9-20-15/h3-4,6,9-10,14,17H,2,5,7-8,11H2,1H3
InChIKeyMWZAGJIIAZDOHA-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 81119139
N-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide
CID 141107759
6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
CID 63300842
1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533221
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide
CID 119531195
4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530230
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide?
The IUPAC name of N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide (CID 119531080) is N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide is CCCN(C(=O)c1ccc2sccc2c1)C1CCNC1.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide?
The InChIKey is MWZAGJIIAZDOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-8-18(14-5-7-17-11-14)16(19)13-3-4-15-12(10-13)6-9-20-15/h3-4,6,9-10,14,17H,2,5,7-8,11H2,1H3.
What are the key properties of N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide?
N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide is sourced from PubChem (CID 119531080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).