(2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide

C22H23N3O2S — CID 8769458

IUPAC(2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide
SMILESCCc1ccc([C@H](N[C@H](C(=O)NC(N)=O)c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C22H23N3O2S/c1-2-15-10-12-17(13-11-15)19(18-9-6-14-28-18)24-20(21(26)25-22(23)27)16-7-4-3-5-8-16/h3-14,19-20,24H,2H2,1H3,(H3,23,25,26,27)/t19-,20-/m0/s1
InChIKeyUAGSOLLPNZKTJP-PMACEKPBSA-N
MW393.51 g/mol
LogP3.93
Rot. Bonds7

About (2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide

(2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide (PubChem CID 8769458) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide
PubChem CID8769458
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name(2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide
SMILESCCc1ccc([C@H](N[C@H](C(=O)NC(N)=O)c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C22H23N3O2S/c1-2-15-10-12-17(13-11-15)19(18-9-6-14-28-18)24-20(21(26)25-22(23)27)16-7-4-3-5-8-16/h3-14,19-20,24H,2H2,1H3,(H3,23,25,26,27)/t19-,20-/m0/s1
InChIKeyUAGSOLLPNZKTJP-PMACEKPBSA-N
XLogP3.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-carbamoyl-2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769401
(2R)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769399
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769465
(2R)-2-(benzhydrylamino)-N-carbamoyl-2-phenylacetamide
CID 8596163
(2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide
CID 9126245
(3S)-3-(carbamoylamino)-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-phenylpropanamide
CID 41306258
(2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide
CID 8640380
(2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136339
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769393
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
CID 7669881
2-[[phenyl(thiophen-2-yl)methyl]amino]butanoic acid
CID 115352761
(2R)-N-cyclopropyl-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051615

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide (CID 8769458) is (2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide is CCc1ccc([C@H](N[C@H](C(=O)NC(N)=O)c2ccccc2)c2cccs2)cc1.
What is the InChIKey of (2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide?
The InChIKey is UAGSOLLPNZKTJP-PMACEKPBSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-2-15-10-12-17(13-11-15)19(18-9-6-14-28-18)24-20(21(26)25-22(23)27)16-7-4-3-5-8-16/h3-14,19-20,24H,2H2,1H3,(H3,23,25,26,27)/t19-,20-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide?
(2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide has a molecular weight of 393.51 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide is sourced from PubChem (CID 8769458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).