N-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide

C24H29N3O3S2 — CID 24643512

IUPACN-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C24H29N3O3S2/c1-18(2)23(24(28)27-12-10-26(11-13-27)16-19-9-14-31-17-19)25-32(29,30)22-8-7-20-5-3-4-6-21(20)15-22/h3-9,14-15,17-18,23,25H,10-13,16H2,1-2H3
InChIKeyRAZNPXOOHAONPP-UHFFFAOYSA-N
MW471.65 g/mol
LogP3.55
Rot. Bonds7

About N-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide

N-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide (PubChem CID 24643512) has the molecular formula C24H29N3O3S2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide
PubChem CID24643512
Molecular FormulaC24H29N3O3S2
Molecular Weight471.65 g/mol
Exact Mass471.17
IUPAC NameN-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C24H29N3O3S2/c1-18(2)23(24(28)27-12-10-26(11-13-27)16-19-9-14-31-17-19)25-32(29,30)22-8-7-20-5-3-4-6-21(20)15-22/h3-9,14-15,17-18,23,25H,10-13,16H2,1-2H3
InChIKeyRAZNPXOOHAONPP-UHFFFAOYSA-N
XLogP3.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-3-methyl-1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide
CID 41273552
N-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide
CID 24640818
2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 9180639
N-ethyl-2-methyl-4-[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]piperazine-1-carboxamide
CID 42708187
N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 92707486
4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]benzamide
CID 30947583
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9181355
(2S)-N-(1-ethylpiperidin-4-yl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 36815103
N-(1-ethylpiperidin-4-yl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 42945663
(3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid
CID 54460606
N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 84912637

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide (CID 24643512) is N-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide is CC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of N-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide?
The InChIKey is RAZNPXOOHAONPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S2/c1-18(2)23(24(28)27-12-10-26(11-13-27)16-19-9-14-31-17-19)25-32(29,30)22-8-7-20-5-3-4-6-21(20)15-22/h3-9,14-15,17-18,23,25H,10-13,16H2,1-2H3.
What are the key properties of N-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide?
N-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide has a molecular weight of 471.65 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 24643512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).