(2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide

C18H23N3O2S — CID 94797374

IUPAC(2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)[C@@H](C)NC(N)=O)s1
InChIInChI=1S/C18H23N3O2S/c1-13-8-9-16(24-13)12-21(17(22)14(2)20-18(19)23)11-10-15-6-4-3-5-7-15/h3-9,14H,10-12H2,1-2H3,(H3,19,20,23)/t14-/m1/s1
InChIKeySQDAOEJUDZOEDR-CQSZACIVSA-N
MW345.47 g/mol
LogP2.68
Rot. Bonds7

About (2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide

(2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide (PubChem CID 94797374) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide
PubChem CID94797374
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)[C@@H](C)NC(N)=O)s1
InChIInChI=1S/C18H23N3O2S/c1-13-8-9-16(24-13)12-21(17(22)14(2)20-18(19)23)11-10-15-6-4-3-5-7-15/h3-9,14H,10-12H2,1-2H3,(H3,19,20,23)/t14-/m1/s1
InChIKeySQDAOEJUDZOEDR-CQSZACIVSA-N
XLogP2.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120559324
N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide
CID 120649030
4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride
CID 120587303
3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119691845
2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide
CID 26651467
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide
CID 120884702
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884701
N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 120885093
2-(2-methyl-1,3-thiazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 134008275
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl] 4-formylbenzoate
CID 9019787
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 8594551

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide (CID 94797374) is (2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide is Cc1ccc(CN(CCc2ccccc2)C(=O)[C@@H](C)NC(N)=O)s1.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide?
The InChIKey is SQDAOEJUDZOEDR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-8-9-16(24-13)12-21(17(22)14(2)20-18(19)23)11-10-15-6-4-3-5-7-15/h3-9,14H,10-12H2,1-2H3,(H3,19,20,23)/t14-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide?
(2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide has a molecular weight of 345.47 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 94797374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).