5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide

C25H26ClN3O2S — CID 11190555

IUPAC5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESCN(C)CC1(c2ccc(NC(=O)C(NC(=O)c3ccc(Cl)s3)c3ccccc3)cc2)CC1
InChIInChI=1S/C25H26ClN3O2S/c1-29(2)16-25(14-15-25)18-8-10-19(11-9-18)27-24(31)22(17-6-4-3-5-7-17)28-23(30)20-12-13-21(26)32-20/h3-13,22H,14-16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyLANRDJKOLBBKJE-UHFFFAOYSA-N
MW468.02 g/mol
LogP5.10
Rot. Bonds8

About 5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide

5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 11190555) has the molecular formula C25H26ClN3O2S and a molecular weight of 468.02 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
PubChem CID11190555
Molecular FormulaC25H26ClN3O2S
Molecular Weight468.02 g/mol
Exact Mass467.14
IUPAC Name5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESCN(C)CC1(c2ccc(NC(=O)C(NC(=O)c3ccc(Cl)s3)c3ccccc3)cc2)CC1
InChIInChI=1S/C25H26ClN3O2S/c1-29(2)16-25(14-15-25)18-8-10-19(11-9-18)27-24(31)22(17-6-4-3-5-7-17)28-23(30)20-12-13-21(26)32-20/h3-13,22H,14-16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyLANRDJKOLBBKJE-UHFFFAOYSA-N
XLogP5.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.02
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide
CID 11317340
2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropyl]phenyl]-2-phenylacetamide
CID 11238504
5-chloro-N-[1-[[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]thiophene-2-carboxamide
CID 91508346
2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide
CID 11318014
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
5-chloro-N-[1-[4-[1-[(dimethylamino)methyl]cyclopropyl]benzoyl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 59019888
N-(2-bromo-1-phenylethyl)-5-chlorothiophene-2-carboxamide
CID 113274761
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
2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[(E)-N'-methoxy-N,N-dimethylcarbamimidoyl]phenyl]-2-phenylacetamide
CID 87856277
5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
CID 63182495
3-[(5-chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43092663
N-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]benzamide
CID 15658553

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide (CID 11190555) is 5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide is CN(C)CC1(c2ccc(NC(=O)C(NC(=O)c3ccc(Cl)s3)c3ccccc3)cc2)CC1.
What is the InChIKey of 5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is LANRDJKOLBBKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2S/c1-29(2)16-25(14-15-25)18-8-10-19(11-9-18)27-24(31)22(17-6-4-3-5-7-17)28-23(30)20-12-13-21(26)32-20/h3-13,22H,14-16H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 468.02 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 11190555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).