N-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide

C18H24ClN3O3S3 — CID 29465388

IUPACN-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CCCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H24ClN3O3S3/c1-20(28(24,25)18-5-3-13-26-18)8-2-4-17(23)22-11-9-21(10-12-22)14-15-6-7-16(19)27-15/h3,5-7,13H,2,4,8-12,14H2,1H3
InChIKeyMKQWXWDLEDSPSK-UHFFFAOYSA-N
MW462.06 g/mol
LogP3.21
Rot. Bonds8

About N-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide

N-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide (PubChem CID 29465388) has the molecular formula C18H24ClN3O3S3 and a molecular weight of 462.06 g/mol. Its IUPAC name is N-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide
PubChem CID29465388
Molecular FormulaC18H24ClN3O3S3
Molecular Weight462.06 g/mol
Exact Mass461.07
IUPAC NameN-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CCCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H24ClN3O3S3/c1-20(28(24,25)18-5-3-13-26-18)8-2-4-17(23)22-11-9-21(10-12-22)14-15-6-7-16(19)27-15/h3,5-7,13H,2,4,8-12,14H2,1H3
InChIKeyMKQWXWDLEDSPSK-UHFFFAOYSA-N
XLogP3.21
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.06
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide with MolForge

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Related Compounds

1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-5-hydroxypentan-1-one
CID 79199876
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-hydroxypentan-1-one
CID 79204548
N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 27841923
N-[4-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide
CID 38316030
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one
CID 43017400
3-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 64684882
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone
CID 60641592
N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24666466
methyl 3-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanoate
CID 113219646
N-(3-methoxypropyl)-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-yl]acetamide
CID 55429208
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
N-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide
CID 49071480

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide (CID 29465388) is N-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide is CN(CCCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is MKQWXWDLEDSPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3S3/c1-20(28(24,25)18-5-3-13-26-18)8-2-4-17(23)22-11-9-21(10-12-22)14-15-6-7-16(19)27-15/h3,5-7,13H,2,4,8-12,14H2,1H3.
What are the key properties of N-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide?
N-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 462.06 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 29465388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).