N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide

C17H20ClN3O3S2 — CID 112843932

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)N1CCCC1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H20ClN3O3S2/c18-14-7-5-13(6-8-14)15-12-25-17(19-15)20-16(22)4-3-11-26(23,24)21-9-1-2-10-21/h5-8,12H,1-4,9-11H2,(H,19,20,22)
InChIKeyVJDWQNYNQQEISU-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.61
Rot. Bonds7

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide (PubChem CID 112843932) has the molecular formula C17H20ClN3O3S2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide
PubChem CID112843932
Molecular FormulaC17H20ClN3O3S2
Molecular Weight413.95 g/mol
Exact Mass413.06
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)N1CCCC1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H20ClN3O3S2/c18-14-7-5-13(6-8-14)15-12-25-17(19-15)20-16(22)4-3-11-26(23,24)21-9-1-2-10-21/h5-8,12H,1-4,9-11H2,(H,19,20,22)
InChIKeyVJDWQNYNQQEISU-UHFFFAOYSA-N
XLogP3.61
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide 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

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55755676
3-(4-chlorophenyl)sulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide
CID 44994731
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
CID 3342805
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4791353
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
CID 56521362
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4693642
2-(4-chlorophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1479323
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 3492947
3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 16910434
4-(4-chlorophenyl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 41274662

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide (CID 112843932) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide is O=C(CCCS(=O)(=O)N1CCCC1)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide?
The InChIKey is VJDWQNYNQQEISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S2/c18-14-7-5-13(6-8-14)15-12-25-17(19-15)20-16(22)4-3-11-26(23,24)21-9-1-2-10-21/h5-8,12H,1-4,9-11H2,(H,19,20,22).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide has a molecular weight of 413.95 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide is sourced from PubChem (CID 112843932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).