1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea

C15H23N3O4S — CID 124889174

IUPAC1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea
SMILESC=CC[C@H](CC)NC(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1
InChIInChI=1S/C15H23N3O4S/c1-5-7-11(6-2)16-15(19)17-12-8-9-14(22-3)13(10-12)18-23(4,20)21/h5,8-11,18H,1,6-7H2,2-4H3,(H2,16,17,19)/t11-/m0/s1
InChIKeyQXDBWWJQALSKTN-NSHDSACASA-N
MW341.43 g/mol
LogP2.54
Rot. Bonds8

About 1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea

1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea (PubChem CID 124889174) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea.

Molecular Properties

Compound Name1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea
PubChem CID124889174
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea
SMILESC=CC[C@H](CC)NC(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1
InChIInChI=1S/C15H23N3O4S/c1-5-7-11(6-2)16-15(19)17-12-8-9-14(22-3)13(10-12)18-23(4,20)21/h5,8-11,18H,1,6-7H2,2-4H3,(H2,16,17,19)/t11-/m0/s1
InChIKeyQXDBWWJQALSKTN-NSHDSACASA-N
XLogP2.54
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea
CID 97434915
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 134019095
N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide
CID 134019079
1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea
CID 118777650
2-(4-bromophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylpropanamide
CID 112826811
4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide
CID 55828058
1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-(5-oxo-1-propylpyrrolidin-3-yl)urea
CID 118792157
1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 118763815
4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide
CID 37065204
1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108894071
3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide
CID 24673293

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea?
The IUPAC name of 1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea (CID 124889174) is 1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea.
What is the SMILES notation for 1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea?
The canonical SMILES for 1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea is C=CC[C@H](CC)NC(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1.
What is the InChIKey of 1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea?
The InChIKey is QXDBWWJQALSKTN-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-5-7-11(6-2)16-15(19)17-12-8-9-14(22-3)13(10-12)18-23(4,20)21/h5,8-11,18H,1,6-7H2,2-4H3,(H2,16,17,19)/t11-/m0/s1.
What are the key properties of 1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea?
1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea has a molecular weight of 341.43 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea is sourced from PubChem (CID 124889174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).