N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide

C22H26N2O2S — CID 26059347

IUPACN-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1ccc(SCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C22H26N2O2S/c1-22(2,3)16-6-12-19(13-7-16)27-14-20(25)23-17-8-10-18(11-9-17)24-21(26)15-4-5-15/h6-13,15H,4-5,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeySSWMVYQWGQVRIA-UHFFFAOYSA-N
MW382.53 g/mol
LogP5.06
Rot. Bonds6

About N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide

N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 26059347) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID26059347
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC NameN-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1ccc(SCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C22H26N2O2S/c1-22(2,3)16-6-12-19(13-7-16)27-14-20(25)23-17-8-10-18(11-9-17)24-21(26)15-4-5-15/h6-13,15H,4-5,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeySSWMVYQWGQVRIA-UHFFFAOYSA-N
XLogP5.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.53
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
CID 40604506
2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3309206
ethyl 4-[[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoate
CID 19630791
N-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide
CID 19317764
4-tert-butyl-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058928
4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 7847490
N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687174
N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55898202
2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 3453386
N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide
CID 167978229
1-N-(4-tert-butylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149437
4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673419

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide (CID 26059347) is N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide is CC(C)(C)c1ccc(SCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1.
What is the InChIKey of N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is SSWMVYQWGQVRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-22(2,3)16-6-12-19(13-7-16)27-14-20(25)23-17-8-10-18(11-9-17)24-21(26)15-4-5-15/h6-13,15H,4-5,14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide?
N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 382.53 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 26059347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).