N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide

C18H20ClN3O2S — CID 9043953

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1ccccc1SCC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O2S/c1-12(13-6-8-14(19)9-7-13)21-10-18(24)22-15-4-2-3-5-16(15)25-11-17(20)23/h2-9,12,21H,10-11H2,1H3,(H2,20,23)(H,22,24)/t12-/m0/s1
InChIKeyBDTQJMNMUBDMRR-LBPRGKRZSA-N
MW377.90 g/mol
LogP3.21
Rot. Bonds8

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide (PubChem CID 9043953) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
PubChem CID9043953
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1ccccc1SCC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O2S/c1-12(13-6-8-14(19)9-7-13)21-10-18(24)22-15-4-2-3-5-16(15)25-11-17(20)23/h2-9,12,21H,10-11H2,1H3,(H2,20,23)(H,22,24)/t12-/m0/s1
InChIKeyBDTQJMNMUBDMRR-LBPRGKRZSA-N
XLogP3.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336592
2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27717418
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
CID 55411743
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9376746
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9335626
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
N-(4-chloro-2-fluorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336002
2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27015578
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-chloro-2-methylpropanamide
CID 62727753
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 9307543
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide (CID 9043953) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide is C[C@H](NCC(=O)Nc1ccccc1SCC(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
The InChIKey is BDTQJMNMUBDMRR-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-12(13-6-8-14(19)9-7-13)21-10-18(24)22-15-4-2-3-5-16(15)25-11-17(20)23/h2-9,12,21H,10-11H2,1H3,(H2,20,23)(H,22,24)/t12-/m0/s1.
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide has a molecular weight of 377.90 g/mol, XLogP of 3.21, 8 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-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9043953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).