N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(ethylamino)-2-methylpropanamide

C14H21N3O2S — CID 62832519

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C14H21N3O2S/c1-4-16-14(2,3)13(19)17-10-7-5-6-8-11(10)20-9-12(15)18/h5-8,16H,4,9H2,1-3H3,(H2,15,18)(H,17,19)
InChIKeyBTMNDQQRGBAONA-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.59
Rot. Bonds7

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(ethylamino)-2-methylpropanamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(ethylamino)-2-methylpropanamide (PubChem CID 62832519) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(ethylamino)-2-methylpropanamide
PubChem CID62832519
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C14H21N3O2S/c1-4-16-14(2,3)13(19)17-10-7-5-6-8-11(10)20-9-12(15)18/h5-8,16H,4,9H2,1-3H3,(H2,15,18)(H,17,19)
InChIKeyBTMNDQQRGBAONA-UHFFFAOYSA-N
XLogP1.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
N-(2-cyclopentylsulfanylphenyl)-2-(ethylamino)-2-methylpropanamide
CID 62832690
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide
CID 46421409
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-chloro-2-methylpropanamide
CID 62727753
2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722610
2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-methylbutanamide
CID 65225017
4-amino-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methylbutanamide
CID 80543338
2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide
CID 9379612
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-tert-butylphenoxy)propanamide
CID 78810376
(E)-4-[2-(2-amino-2-oxoethyl)sulfanylanilino]-4-oxobut-2-enoic acid
CID 54868379
N-[2-[(dimethylamino)methyl]phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62832687

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(ethylamino)-2-methylpropanamide (CID 62832519) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)Nc1ccccc1SCC(N)=O.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(ethylamino)-2-methylpropanamide?
The InChIKey is BTMNDQQRGBAONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-16-14(2,3)13(19)17-10-7-5-6-8-11(10)20-9-12(15)18/h5-8,16H,4,9H2,1-3H3,(H2,15,18)(H,17,19).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(ethylamino)-2-methylpropanamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(ethylamino)-2-methylpropanamide has a molecular weight of 295.41 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62832519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).