tert-butyl N-[(4-methoxyphenyl)methyl-[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate

C18H28N2O5S — CID 160959785

IUPACtert-butyl N-[(4-methoxyphenyl)methyl-[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate
SMILESC=CC[C@H](C)N(Cc1ccc(OC)cc1)S(=O)(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H28N2O5S/c1-7-8-14(2)20(13-15-9-11-16(24-6)12-10-15)26(22,23)19-17(21)25-18(3,4)5/h7,9-12,14H,1,8,13H2,2-6H3,(H,19,21)/t14-/m0/s1
InChIKeySWWDBCPAFYVNNX-AWEZNQCLSA-N
MW384.50 g/mol
LogP3.23
Rot. Bonds8

About tert-butyl N-[(4-methoxyphenyl)methyl-[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate

tert-butyl N-[(4-methoxyphenyl)methyl-[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate (PubChem CID 160959785) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is tert-butyl N-[(4-methoxyphenyl)methyl-[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-methoxyphenyl)methyl-[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate
PubChem CID160959785
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Nametert-butyl N-[(4-methoxyphenyl)methyl-[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate
SMILESC=CC[C@H](C)N(Cc1ccc(OC)cc1)S(=O)(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H28N2O5S/c1-7-8-14(2)20(13-15-9-11-16(24-6)12-10-15)26(22,23)19-17(21)25-18(3,4)5/h7,9-12,14H,1,8,13H2,2-6H3,(H,19,21)/t14-/m0/s1
InChIKeySWWDBCPAFYVNNX-AWEZNQCLSA-N
XLogP3.23
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide
CID 118903716
(1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfonamide
CID 118910363
methyl (2S)-5-[(4-methoxyphenyl)methyl-prop-2-enylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 69494840
methyl 4-[[(4-methoxyphenyl)sulfonyl-[3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]methyl]benzoate
CID 69451351
methyl (2R)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]sulfamoyl]pent-4-enoate;methyl (2S)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]sulfamoyl]pent-4-enoate
CID 158126674
tert-butyl N-[1-(4-methoxyphenyl)-4-oxobutan-2-yl]carbamate
CID 73030796
tert-butyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate
CID 60596382
methyl (2S)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]sulfamoyl]-2-methylpent-4-enoate
CID 157182119
(3R,4S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-4-methylhept-6-ene-3-sulfonamide;(3S,4S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-4-methylhept-6-ene-3-sulfonamide
CID 158176703
propan-2-yl (3S,4R)-3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methylhept-6-enoate
CID 130367530
tert-butyl N-(N-benzyl-4-methoxyanilino)carbamate
CID 122213269
[(3R,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl] acetate
CID 57341496

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-methoxyphenyl)methyl-[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate?
The IUPAC name of tert-butyl N-[(4-methoxyphenyl)methyl-[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate (CID 160959785) is tert-butyl N-[(4-methoxyphenyl)methyl-[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-methoxyphenyl)methyl-[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-methoxyphenyl)methyl-[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate is C=CC[C@H](C)N(Cc1ccc(OC)cc1)S(=O)(=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-methoxyphenyl)methyl-[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate?
The InChIKey is SWWDBCPAFYVNNX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-7-8-14(2)20(13-15-9-11-16(24-6)12-10-15)26(22,23)19-17(21)25-18(3,4)5/h7,9-12,14H,1,8,13H2,2-6H3,(H,19,21)/t14-/m0/s1.
What are the key properties of tert-butyl N-[(4-methoxyphenyl)methyl-[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate?
tert-butyl N-[(4-methoxyphenyl)methyl-[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate has a molecular weight of 384.50 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-methoxyphenyl)methyl-[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate is sourced from PubChem (CID 160959785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).