benzyl N-[(R)-indol-1-yl(thiophen-2-yl)methyl]carbamate

C21H18N2O2S — CID 134963247

IUPACbenzyl N-[(R)-indol-1-yl(thiophen-2-yl)methyl]carbamate
SMILESO=C(N[C@@H](c1cccs1)n1ccc2ccccc21)OCc1ccccc1
InChIInChI=1S/C21H18N2O2S/c24-21(25-15-16-7-2-1-3-8-16)22-20(19-11-6-14-26-19)23-13-12-17-9-4-5-10-18(17)23/h1-14,20H,15H2,(H,22,24)/t20-/m1/s1
InChIKeyDNASMEJWYSOKTP-HXUWFJFHSA-N
MW362.45 g/mol
LogP5.18
Rot. Bonds5

About benzyl N-[(R)-indol-1-yl(thiophen-2-yl)methyl]carbamate

benzyl N-[(R)-indol-1-yl(thiophen-2-yl)methyl]carbamate (PubChem CID 134963247) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is benzyl N-[(R)-indol-1-yl(thiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(R)-indol-1-yl(thiophen-2-yl)methyl]carbamate
PubChem CID134963247
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Namebenzyl N-[(R)-indol-1-yl(thiophen-2-yl)methyl]carbamate
SMILESO=C(N[C@@H](c1cccs1)n1ccc2ccccc21)OCc1ccccc1
InChIInChI=1S/C21H18N2O2S/c24-21(25-15-16-7-2-1-3-8-16)22-20(19-11-6-14-26-19)23-13-12-17-9-4-5-10-18(17)23/h1-14,20H,15H2,(H,22,24)/t20-/m1/s1
InChIKeyDNASMEJWYSOKTP-HXUWFJFHSA-N
XLogP5.18
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(R)-(4-fluorophenyl)-indol-1-ylmethyl]carbamate
CID 134963239
2-[(4-methylphenyl)methoxycarbonylamino]-2-thiophen-2-ylacetic acid
CID 22757837
benzyl N-[(4-methylphenyl)sulfonyl-thiophen-2-ylmethyl]carbamate
CID 25107614
benzyl N-(1-amino-2,2,2-trifluoroethyl)carbamate
CID 45036579
dibenzyl 2-(phenylmethoxycarbonylamino)propanedioate
CID 10873729
6-oxo-2-(phenylmethoxycarbonylamino)-6-thiophen-2-ylhexanoic acid
CID 103819688
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate
CID 11346335
[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphonous acid
CID 21325852
benzyl N-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]carbamate
CID 59064326
benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate
CID 18111263
benzyl N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyl-1,6-diphenylhexan-2-yl]carbamate
CID 58416941

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(R)-indol-1-yl(thiophen-2-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(R)-indol-1-yl(thiophen-2-yl)methyl]carbamate (CID 134963247) is benzyl N-[(R)-indol-1-yl(thiophen-2-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(R)-indol-1-yl(thiophen-2-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(R)-indol-1-yl(thiophen-2-yl)methyl]carbamate is O=C(N[C@@H](c1cccs1)n1ccc2ccccc21)OCc1ccccc1.
What is the InChIKey of benzyl N-[(R)-indol-1-yl(thiophen-2-yl)methyl]carbamate?
The InChIKey is DNASMEJWYSOKTP-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18N2O2S/c24-21(25-15-16-7-2-1-3-8-16)22-20(19-11-6-14-26-19)23-13-12-17-9-4-5-10-18(17)23/h1-14,20H,15H2,(H,22,24)/t20-/m1/s1.
What are the key properties of benzyl N-[(R)-indol-1-yl(thiophen-2-yl)methyl]carbamate?
benzyl N-[(R)-indol-1-yl(thiophen-2-yl)methyl]carbamate has a molecular weight of 362.45 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(R)-indol-1-yl(thiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 134963247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).