5-chloro-N-[1-[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]pyrrolidin-3-yl]thiophene-2-carboxamide

C22H26ClN3O2S — CID 59019888

IUPAC5-chloro-N-[1-[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCN(C)CC1(c2ccc(C(=O)N3CCC(NC(=O)c4ccc(Cl)s4)C3)cc2)CC1
InChIInChI=1S/C22H26ClN3O2S/c1-25(2)14-22(10-11-22)16-5-3-15(4-6-16)21(28)26-12-9-17(13-26)24-20(27)18-7-8-19(23)29-18/h3-8,17H,9-14H2,1-2H3,(H,24,27)
InChIKeyXSDIBHKSKZQZPT-UHFFFAOYSA-N
MW431.99 g/mol
LogP3.64
Rot. Bonds6

About 5-chloro-N-[1-[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]pyrrolidin-3-yl]thiophene-2-carboxamide

5-chloro-N-[1-[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]pyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 59019888) has the molecular formula C22H26ClN3O2S and a molecular weight of 431.99 g/mol. Its IUPAC name is 5-chloro-N-[1-[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]pyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]pyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID59019888
Molecular FormulaC22H26ClN3O2S
Molecular Weight431.99 g/mol
Exact Mass431.14
IUPAC Name5-chloro-N-[1-[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCN(C)CC1(c2ccc(C(=O)N3CCC(NC(=O)c4ccc(Cl)s4)C3)cc2)CC1
InChIInChI=1S/C22H26ClN3O2S/c1-25(2)14-22(10-11-22)16-5-3-15(4-6-16)21(28)26-12-9-17(13-26)24-20(27)18-7-8-19(23)29-18/h3-8,17H,9-14H2,1-2H3,(H,24,27)
InChIKeyXSDIBHKSKZQZPT-UHFFFAOYSA-N
XLogP3.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[1-[[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]thiophene-2-carboxamide
CID 91508346
N-[(7R,7aR)-2-[4-[1-[(dimethylamino)methyl]cyclobutyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide
CID 91105647
5-chloro-N-[6-chloro-2-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]ethyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide
CID 91267225
5-chloro-N-[2-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]-4-(dimethylcarbamoyl)cyclopentyl]thiophene-2-carboxamide
CID 91140762
5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 11190555
5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 55690906
5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110894
(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250444
5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 136515255
N-[(7R,7aR)-2-[4-[1-(dimethylamino)cyclopentyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-7-yl]-5-chlorothiophene-2-carboxamide
CID 91421560

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]pyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]pyrrolidin-3-yl]thiophene-2-carboxamide (CID 59019888) is 5-chloro-N-[1-[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]pyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]pyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]pyrrolidin-3-yl]thiophene-2-carboxamide is CN(C)CC1(c2ccc(C(=O)N3CCC(NC(=O)c4ccc(Cl)s4)C3)cc2)CC1.
What is the InChIKey of 5-chloro-N-[1-[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]pyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is XSDIBHKSKZQZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2S/c1-25(2)14-22(10-11-22)16-5-3-15(4-6-16)21(28)26-12-9-17(13-26)24-20(27)18-7-8-19(23)29-18/h3-8,17H,9-14H2,1-2H3,(H,24,27).
What are the key properties of 5-chloro-N-[1-[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]pyrrolidin-3-yl]thiophene-2-carboxamide?
5-chloro-N-[1-[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]pyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 431.99 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]pyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 59019888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).