N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide

C20H26N2O2S — CID 112795550

IUPACN-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)CNC(=O)c2cccs2)C(C)C)cc1
InChIInChI=1S/C20H26N2O2S/c1-13(2)15-7-9-16(10-8-15)19(14(3)4)22-18(23)12-21-20(24)17-6-5-11-25-17/h5-11,13-14,19H,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyRZNZCOGTFWUETJ-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.11
Rot. Bonds7

About N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 112795550) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID112795550
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)CNC(=O)c2cccs2)C(C)C)cc1
InChIInChI=1S/C20H26N2O2S/c1-13(2)15-7-9-16(10-8-15)19(14(3)4)22-18(23)12-21-20(24)17-6-5-11-25-17/h5-11,13-14,19H,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyRZNZCOGTFWUETJ-UHFFFAOYSA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9437374
N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 103759054
N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride
CID 120506210
2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide
CID 60559744
N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide
CID 18267861
4-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 5197370
3-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 43092634
(2S)-4-methyl-2-[[2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetyl]amino]pentanoic acid
CID 119361200
N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
CID 959994
N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18162547
N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9418935
N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102908401

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 112795550) is N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide is CC(C)c1ccc(C(NC(=O)CNC(=O)c2cccs2)C(C)C)cc1.
What is the InChIKey of N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is RZNZCOGTFWUETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-13(2)15-7-9-16(10-8-15)19(14(3)4)22-18(23)12-21-20(24)17-6-5-11-25-17/h5-11,13-14,19H,12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 112795550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).