N-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide

C12H14N2O2S — CID 19317764

IUPACN-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide
SMILESNC(=O)CSc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C12H14N2O2S/c13-11(15)7-17-10-5-3-9(4-6-10)14-12(16)8-1-2-8/h3-6,8H,1-2,7H2,(H2,13,15)(H,14,16)
InChIKeyJCBSNPOGELRNKV-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.61
Rot. Bonds5

About N-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide

N-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide (PubChem CID 19317764) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide
PubChem CID19317764
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide
SMILESNC(=O)CSc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C12H14N2O2S/c13-11(15)7-17-10-5-3-9(4-6-10)14-12(16)8-1-2-8/h3-6,8H,1-2,7H2,(H2,13,15)(H,14,16)
InChIKeyJCBSNPOGELRNKV-UHFFFAOYSA-N
XLogP1.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide
CID 26059347
ethyl 4-[[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoate
CID 19630791
4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 60847909
N-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 25276318
N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
CID 110778678
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673419
N-[4-[1-[[2-(4-cyanophenyl)sulfanylacetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 60518059
N-(4-methylsulfanylphenyl)cyclopentanecarboxamide
CID 9153516
N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide
CID 82359770
4-(aminomethyl)-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
CID 79511673
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide (CID 19317764) is N-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide is NC(=O)CSc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide?
The InChIKey is JCBSNPOGELRNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c13-11(15)7-17-10-5-3-9(4-6-10)14-12(16)8-1-2-8/h3-6,8H,1-2,7H2,(H2,13,15)(H,14,16).
What are the key properties of N-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide?
N-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 19317764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).