2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide

C17H26N2OS — CID 62709162

IUPAC2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide
SMILESCC(C)C1CCC(Nc2ccccc2SCC(N)=O)CC1
InChIInChI=1S/C17H26N2OS/c1-12(2)13-7-9-14(10-8-13)19-15-5-3-4-6-16(15)21-11-17(18)20/h3-6,12-14,19H,7-11H2,1-2H3,(H2,18,20)
InChIKeySRTLAHUKJUCRBC-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.89
Rot. Bonds6

About 2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide

2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide (PubChem CID 62709162) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide
PubChem CID62709162
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide
SMILESCC(C)C1CCC(Nc2ccccc2SCC(N)=O)CC1
InChIInChI=1S/C17H26N2OS/c1-12(2)13-7-9-14(10-8-13)19-15-5-3-4-6-16(15)21-11-17(18)20/h3-6,12-14,19H,7-11H2,1-2H3,(H2,18,20)
InChIKeySRTLAHUKJUCRBC-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide
CID 43722530
2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 43722550
2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722597
2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 43722551
2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide
CID 63922815
2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722610
2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide
CID 115928559
(2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-cyclohexyl-N-methylpropanamide
CID 9044749
2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide
CID 9044707
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide
CID 119691926
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
4-(2-methylsulfanylanilino)piperidine-1-carboxamide
CID 43781018

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide (CID 62709162) is 2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide is CC(C)C1CCC(Nc2ccccc2SCC(N)=O)CC1.
What is the InChIKey of 2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide?
The InChIKey is SRTLAHUKJUCRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-12(2)13-7-9-14(10-8-13)19-15-5-3-4-6-16(15)21-11-17(18)20/h3-6,12-14,19H,7-11H2,1-2H3,(H2,18,20).
What are the key properties of 2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide?
2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide has a molecular weight of 306.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide is sourced from PubChem (CID 62709162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).