(2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide

C18H24N4O2S — CID 7874184

IUPAC(2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide
SMILESCN(C)[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(N)=O)c1cccs1
InChIInChI=1S/C18H24N4O2S/c1-22(2)15(16-9-6-10-25-16)12-20-17(23)14(21-18(19)24)11-13-7-4-3-5-8-13/h3-10,14-15H,11-12H2,1-2H3,(H,20,23)(H3,19,21,24)/t14-,15+/m0/s1
InChIKeyLYSRIAMHLZQKGY-LSDHHAIUSA-N
MW360.48 g/mol
LogP1.75
Rot. Bonds8

About (2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide

(2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide (PubChem CID 7874184) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide
PubChem CID7874184
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name(2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide
SMILESCN(C)[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(N)=O)c1cccs1
InChIInChI=1S/C18H24N4O2S/c1-22(2)15(16-9-6-10-25-16)12-20-17(23)14(21-18(19)24)11-13-7-4-3-5-8-13/h3-10,14-15H,11-12H2,1-2H3,(H,20,23)(H3,19,21,24)/t14-,15+/m0/s1
InChIKeyLYSRIAMHLZQKGY-LSDHHAIUSA-N
XLogP1.75
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
CID 61273636
N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46522928
benzyl N-[(2S)-1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 24640715
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
CID 61251162
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide
CID 4807612
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830043
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 76897072
N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51163296
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
CID 18164481
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide
CID 43006702

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide (CID 7874184) is (2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide is CN(C)[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(N)=O)c1cccs1.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide?
The InChIKey is LYSRIAMHLZQKGY-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-22(2)15(16-9-6-10-25-16)12-20-17(23)14(21-18(19)24)11-13-7-4-3-5-8-13/h3-10,14-15H,11-12H2,1-2H3,(H,20,23)(H3,19,21,24)/t14-,15+/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide?
(2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide has a molecular weight of 360.48 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide is sourced from PubChem (CID 7874184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).