methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate

C19H24N2O3S — CID 9136375

IUPACmethyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate
SMILESCCCc1ccc([C@@H](N[C@@H](C)C(=O)NC(=O)OC)c2cccs2)cc1
InChIInChI=1S/C19H24N2O3S/c1-4-6-14-8-10-15(11-9-14)17(16-7-5-12-25-16)20-13(2)18(22)21-19(23)24-3/h5,7-13,17,20H,4,6H2,1-3H3,(H,21,22,23)/t13-,17+/m0/s1
InChIKeyVYBWZUZZFCLZBP-SUMWQHHRSA-N
MW360.48 g/mol
LogP3.65
Rot. Bonds7

About methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate

methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate (PubChem CID 9136375) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate
PubChem CID9136375
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Namemethyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate
SMILESCCCc1ccc([C@@H](N[C@@H](C)C(=O)NC(=O)OC)c2cccs2)cc1
InChIInChI=1S/C19H24N2O3S/c1-4-6-14-8-10-15(11-9-14)17(16-7-5-12-25-16)20-13(2)18(22)21-19(23)24-3/h5,7-13,17,20H,4,6H2,1-3H3,(H,21,22,23)/t13-,17+/m0/s1
InChIKeyVYBWZUZZFCLZBP-SUMWQHHRSA-N
XLogP3.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9136299
(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
4-[[(2R)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]amino]benzamide
CID 9136265
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
(2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide
CID 9126245
methyl N-[2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]acetyl]carbamate
CID 8769482
(2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8769242
(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769306
(2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136339
N-[2-(ethylamino)-2-oxoethyl]-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136383
methyl N-[(2S)-2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate
CID 8998518

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate?
The IUPAC name of methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate (CID 9136375) is methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate.
What is the SMILES notation for methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate?
The canonical SMILES for methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate is CCCc1ccc([C@@H](N[C@@H](C)C(=O)NC(=O)OC)c2cccs2)cc1.
What is the InChIKey of methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate?
The InChIKey is VYBWZUZZFCLZBP-SUMWQHHRSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-6-14-8-10-15(11-9-14)17(16-7-5-12-25-16)20-13(2)18(22)21-19(23)24-3/h5,7-13,17,20H,4,6H2,1-3H3,(H,21,22,23)/t13-,17+/m0/s1.
What are the key properties of methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate?
methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate has a molecular weight of 360.48 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]carbamate is sourced from PubChem (CID 9136375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).