N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide

C19H25N3O3S2 — CID 15995654

IUPACN-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide
SMILESCc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3cccs3)CC2C)c1
InChIInChI=1S/C19H25N3O3S2/c1-15-5-3-6-17(13-15)22-11-10-21(14-16(22)2)18(23)8-9-20-27(24,25)19-7-4-12-26-19/h3-7,12-13,16,20H,8-11,14H2,1-2H3
InChIKeyYEZMNVHAWKRRPT-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.46
Rot. Bonds6

About N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide

N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide (PubChem CID 15995654) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide
PubChem CID15995654
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide
SMILESCc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3cccs3)CC2C)c1
InChIInChI=1S/C19H25N3O3S2/c1-15-5-3-6-17(13-15)22-11-10-21(14-16(22)2)18(23)8-9-20-27(24,25)19-7-4-12-26-19/h3-7,12-13,16,20H,8-11,14H2,1-2H3
InChIKeyYEZMNVHAWKRRPT-UHFFFAOYSA-N
XLogP2.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide 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-{3-(2-Oxo-2,3-Dihydro-1,3-Thiazol-4-Yl)-5-[(Thiophen-2-Ylsulfonyl)amino]phenyl}butanamide
CID 71297183
2,5-dimethyl-N-[4-(4-methylpiperazino)benzyl]-3-thiophenesulfonamide
CID 2738607
(E)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 6224117
(4-Phenylpiperazin-1-yl)(1-(thiophen-2-ylsulfonyl)piperidin-4-yl)methanone
CID 1190372
N-(4-fluorophenyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053794
N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3236695
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3238380
N-(4-methylphenyl)-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3240002
N-[[4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-2-thiophenesulfonamide
CID 3640175
N~1~-(3-Methylphenyl)-2-[methyl(2-thienylsulfonyl)amino]acetamide
CID 4318852
N-[4-(Diethylamino)-2-methylphenyl]-3-methyl-2-(thiophene-2-sulfonamido)butanamide
CID 15988648
[4-(2,3-Dimethylphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 15988657

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide (CID 15995654) is N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide is Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3cccs3)CC2C)c1.
What is the InChIKey of N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide?
The InChIKey is YEZMNVHAWKRRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-15-5-3-6-17(13-15)22-11-10-21(14-16(22)2)18(23)8-9-20-27(24,25)19-7-4-12-26-19/h3-7,12-13,16,20H,8-11,14H2,1-2H3.
What are the key properties of N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide?
N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide has a molecular weight of 407.56 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 15995654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).