N-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C16H24N2OS — CID 107029422

IUPACN-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CC2(CS)CC2)cc1
InChIInChI=1S/C16H24N2OS/c1-3-18(4-2)14-7-5-13(6-8-14)17-15(19)11-16(12-20)9-10-16/h5-8,20H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyOIGNUXLLRNAYJR-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.57
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107029422) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107029422
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CC2(CS)CC2)cc1
InChIInChI=1S/C16H24N2OS/c1-3-18(4-2)14-7-5-13(6-8-14)17-15(19)11-16(12-20)9-10-16/h5-8,20H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyOIGNUXLLRNAYJR-UHFFFAOYSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107021050
2-(1-aminocyclopentyl)-N-[4-(diethylamino)phenyl]acetamide
CID 64685802
N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108956266
4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]benzamide
CID 107020469
3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045
2-[1-(sulfanylmethyl)cyclopropyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 107020504
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
N-[4-(diethylamino)phenyl]-2-(ethylamino)acetamide
CID 60641172
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
N-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107590325
N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108954726
N-[4-(diethylamino)phenyl]-2-isocyanoacetamide
CID 108814829

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107029422) is N-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CCN(CC)c1ccc(NC(=O)CC2(CS)CC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is OIGNUXLLRNAYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-18(4-2)14-7-5-13(6-8-14)17-15(19)11-16(12-20)9-10-16/h5-8,20H,3-4,9-12H2,1-2H3,(H,17,19).
What are the key properties of N-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 292.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107029422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).