N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-thiophen-2-ylpropanamide

C18H23N3O3S2 — CID 110362877

IUPACN-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-thiophen-2-ylpropanamide
SMILESCS(=O)(=O)N1CCN(c2cccc(NC(=O)CCc3cccs3)c2)CC1
InChIInChI=1S/C18H23N3O3S2/c1-26(23,24)21-11-9-20(10-12-21)16-5-2-4-15(14-16)19-18(22)8-7-17-6-3-13-25-17/h2-6,13-14H,7-12H2,1H3,(H,19,22)
InChIKeyKDROZWNTBDATLF-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.40
Rot. Bonds6

About N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-thiophen-2-ylpropanamide

N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-thiophen-2-ylpropanamide (PubChem CID 110362877) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-thiophen-2-ylpropanamide
PubChem CID110362877
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC NameN-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-thiophen-2-ylpropanamide
SMILESCS(=O)(=O)N1CCN(c2cccc(NC(=O)CCc3cccs3)c2)CC1
InChIInChI=1S/C18H23N3O3S2/c1-26(23,24)21-11-9-20(10-12-21)16-5-2-4-15(14-16)19-18(22)8-7-17-6-3-13-25-17/h2-6,13-14H,7-12H2,1H3,(H,19,22)
InChIKeyKDROZWNTBDATLF-UHFFFAOYSA-N
XLogP2.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110736265
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 31009711
3-(3-thiophen-2-ylpropanoylamino)benzamide
CID 17436122
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 38682016
2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 110362862
N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 8614889
N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide
CID 112984453
N-(2-methyl-5-morpholin-4-ylphenyl)-3-thiophen-2-ylpropanamide
CID 110362509
N-(3-acetamidophenyl)-4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanamide
CID 42534412
2-[[3-(3-thiophen-2-ylpropanoylamino)phenyl]methylsulfanyl]acetic acid
CID 119240584
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide
CID 42175849
2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid
CID 61058454

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-thiophen-2-ylpropanamide (CID 110362877) is N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-thiophen-2-ylpropanamide is CS(=O)(=O)N1CCN(c2cccc(NC(=O)CCc3cccs3)c2)CC1.
What is the InChIKey of N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-thiophen-2-ylpropanamide?
The InChIKey is KDROZWNTBDATLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-26(23,24)21-11-9-20(10-12-21)16-5-2-4-15(14-16)19-18(22)8-7-17-6-3-13-25-17/h2-6,13-14H,7-12H2,1H3,(H,19,22).
What are the key properties of N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-thiophen-2-ylpropanamide?
N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-thiophen-2-ylpropanamide has a molecular weight of 393.53 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110362877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).