N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide

C19H25NO3S2 — CID 60572383

IUPACN-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)NC(c1ccc(C(C)C)cc1)c1cccs1
InChIInChI=1S/C19H25NO3S2/c1-4-12-25(22,23)13-18(21)20-19(17-6-5-11-24-17)16-9-7-15(8-10-16)14(2)3/h5-11,14,19H,4,12-13H2,1-3H3,(H,20,21)
InChIKeyNHMFMBDOBUGXQN-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.90
Rot. Bonds8

About N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide

N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide (PubChem CID 60572383) has the molecular formula C19H25NO3S2 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide
PubChem CID60572383
Molecular FormulaC19H25NO3S2
Molecular Weight379.55 g/mol
Exact Mass379.13
IUPAC NameN-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)NC(c1ccc(C(C)C)cc1)c1cccs1
InChIInChI=1S/C19H25NO3S2/c1-4-12-25(22,23)13-18(21)20-19(17-6-5-11-24-17)16-9-7-15(8-10-16)14(2)3/h5-11,14,19H,4,12-13H2,1-3H3,(H,20,21)
InChIKeyNHMFMBDOBUGXQN-UHFFFAOYSA-N
XLogP3.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide
CID 119273511
N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide
CID 18267861
2-(3,4-difluorophenyl)sulfanyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 18276695
2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 42925044
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
CID 7669881
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 55498286
(1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine
CID 102978164
2-ethyl-5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyrazole-3-carboxamide
CID 60619872
1-butyl-6-oxo-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyridazine-3-carboxamide
CID 55416398
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
ethyl 4-[[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-4-oxobutanoate
CID 51954482
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide?
The IUPAC name of N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide (CID 60572383) is N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide?
The canonical SMILES for N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide is CCCS(=O)(=O)CC(=O)NC(c1ccc(C(C)C)cc1)c1cccs1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide?
The InChIKey is NHMFMBDOBUGXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S2/c1-4-12-25(22,23)13-18(21)20-19(17-6-5-11-24-17)16-9-7-15(8-10-16)14(2)3/h5-11,14,19H,4,12-13H2,1-3H3,(H,20,21).
What are the key properties of N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide?
N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide has a molecular weight of 379.55 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide is sourced from PubChem (CID 60572383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).