5-chloro-N-[[3-[4-[1-[(cyclopentylamino)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C24H28ClN3O3S — CID 53236613

IUPAC5-chloro-N-[[3-[4-[1-[(cyclopentylamino)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CN(c2ccc(C3(CNC4CCCC4)CC3)cc2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C24H28ClN3O3S/c25-21-10-9-20(32-21)22(29)26-13-19-14-28(23(30)31-19)18-7-5-16(6-8-18)24(11-12-24)15-27-17-3-1-2-4-17/h5-10,17,19,27H,1-4,11-15H2,(H,26,29)
InChIKeyBBTMSBNVSJPBEL-UHFFFAOYSA-N
MW474.03 g/mol
LogP4.72
Rot. Bonds8

About 5-chloro-N-[[3-[4-[1-[(cyclopentylamino)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[3-[4-[1-[(cyclopentylamino)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 53236613) has the molecular formula C24H28ClN3O3S and a molecular weight of 474.03 g/mol. Its IUPAC name is 5-chloro-N-[[3-[4-[1-[(cyclopentylamino)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[3-[4-[1-[(cyclopentylamino)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID53236613
Molecular FormulaC24H28ClN3O3S
Molecular Weight474.03 g/mol
Exact Mass473.15
IUPAC Name5-chloro-N-[[3-[4-[1-[(cyclopentylamino)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CN(c2ccc(C3(CNC4CCCC4)CC3)cc2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C24H28ClN3O3S/c25-21-10-9-20(32-21)22(29)26-13-19-14-28(23(30)31-19)18-7-5-16(6-8-18)24(11-12-24)15-27-17-3-1-2-4-17/h5-10,17,19,27H,1-4,11-15H2,(H,26,29)
InChIKeyBBTMSBNVSJPBEL-UHFFFAOYSA-N
XLogP4.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.03
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[[3-[4-[1-[(cyclopentylamino)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[[3-[4-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 53239532
5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10158209
N-[[3-[4-[(carbamoylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 21070785
5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10202260
5-chloro-N-[[3-[4-(methoxyamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 142207900
5-chloro-N-[[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58618158
5-chloro-N-[[3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 72539282
N-[[3-[4-[1-(bromomethyl)cyclopropyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 67154788
5-chloro-N-[[(5S)-3-[4-[3-(methylamino)propylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 59411228
N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 58777757
5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 57496659
5-chloro-N-[[3-[4-(5-chloropentanoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 21070752

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[4-[1-[(cyclopentylamino)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[3-[4-[1-[(cyclopentylamino)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 53236613) is 5-chloro-N-[[3-[4-[1-[(cyclopentylamino)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[3-[4-[1-[(cyclopentylamino)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[3-[4-[1-[(cyclopentylamino)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is O=C(NCC1CN(c2ccc(C3(CNC4CCCC4)CC3)cc2)C(=O)O1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[3-[4-[1-[(cyclopentylamino)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is BBTMSBNVSJPBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3S/c25-21-10-9-20(32-21)22(29)26-13-19-14-28(23(30)31-19)18-7-5-16(6-8-18)24(11-12-24)15-27-17-3-1-2-4-17/h5-10,17,19,27H,1-4,11-15H2,(H,26,29).
What are the key properties of 5-chloro-N-[[3-[4-[1-[(cyclopentylamino)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[3-[4-[1-[(cyclopentylamino)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 474.03 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-[4-[1-[(cyclopentylamino)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 53236613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).