tert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate

C17H29N3O4S — CID 110613438

IUPACtert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate
SMILESCC(C)NS(=O)(=O)NCCCc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H29N3O4S/c1-13(2)20-25(22,23)18-12-6-7-14-8-10-15(11-9-14)19-16(21)24-17(3,4)5/h8-11,13,18,20H,6-7,12H2,1-5H3,(H,19,21)
InChIKeyXBTWJOVOPLZPAS-UHFFFAOYSA-N
MW371.50 g/mol
LogP2.80
Rot. Bonds8

About tert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate

tert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate (PubChem CID 110613438) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is tert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate
PubChem CID110613438
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC Nametert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate
SMILESCC(C)NS(=O)(=O)NCCCc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H29N3O4S/c1-13(2)20-25(22,23)18-12-6-7-14-8-10-15(11-9-14)19-16(21)24-17(3,4)5/h8-11,13,18,20H,6-7,12H2,1-5H3,(H,19,21)
InChIKeyXBTWJOVOPLZPAS-UHFFFAOYSA-N
XLogP2.80
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-(7-methyloctyl)phenyl]carbamate
CID 66988932
methyl 2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethylamino]propanoate
CID 103748116
tert-butyl N-[4-[2-(1,1-difluoropropan-2-ylamino)ethyl]phenyl]carbamate
CID 107248690
6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxohexanoic acid
CID 70436873
tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate
CID 112983477
tert-butyl N-[4-[4-[4-[3-tri(propan-2-yl)silylsulfanylpropyl]phenyl]phenyl]phenyl]carbamate
CID 46866944
3-methyl-2-[methyl-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl]amino]butanoic acid
CID 123377624
methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylamino]propanoate
CID 107239586
tert-butyl N-[4-(2,2-difluoroethyl)phenyl]carbamate
CID 122648326
tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate
CID 118957337
tert-butyl N-[4-[2-[3-(4-aminophenyl)propylamino]-2-oxoethyl]sulfanylphenyl]carbamate
CID 58756782
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate (CID 110613438) is tert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate is CC(C)NS(=O)(=O)NCCCc1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate?
The InChIKey is XBTWJOVOPLZPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4S/c1-13(2)20-25(22,23)18-12-6-7-14-8-10-15(11-9-14)19-16(21)24-17(3,4)5/h8-11,13,18,20H,6-7,12H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate?
tert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate has a molecular weight of 371.50 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate is sourced from PubChem (CID 110613438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).